c-Th4: Thermal Behavior of a Disilanylene-Bonded Thiophenophane in the Crystalline State

Toyotaka Nakae published a dataset on figshare in March 2026 detailing the thermal behavior of a synthesized organosilicon macrocycle, c-Th4. The data includes single-crystal X-ray diffraction and differential scanning calorimetry results, confirming the compound's structural stability up to its melting point. The dataset is 439.9 KB and contains Crystallographic Information File (CIF) format data.

Use Cases

• Analyze the relationship between intramolecular free volume and thermal responsiveness based on comparative analysis with a phenylene analogue.
• Study the impact of thienylene spacer bond angles on conformational freedom and phase transitions based on variable-temperature X-ray diffraction data.
• Model CH−π interactions and molecular assembly into columns based on single-crystal X-ray diffraction geometry.
• Investigate the suppression of thermosalient behavior in σ–π-conjugated macrocycles based on differential scanning calorimetry results.

Strengths

• Includes single-crystal X-ray diffraction data revealing a chair-like square molecular geometry.
• Contains comparative analysis with a previously reported analogue (c-Ph4) to highlight structural differences.
• Data is provided in the standard Crystallographic Information File (CIF) format, widely used in crystallography.

Limitations

• Row count and column-level documentation are unknown, which may limit suitability assessment.
• The dataset is small (439.9 KB), indicating a limited scope focused on a single compound.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

Toyotaka Nakae via figshare

Collection Method

Synthesized via Pd-catalyzed cyclization and analyzed via X-ray diffraction and calorimetry.

Time Range

The data reflects a specific experimental study; no temporal coverage range is provided.

Freshness

Last updated 2026-03-25 18:34:12; freshness should be verified.

Geography

No spatial coverage is indicated.