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

Crystallographic data for a synthesized organosilicon macrocycle, 2,2,3,3,5,5,6,6,8,8,9,9,11,11,12,12-hexadecamethyl-2,3,5,6,8,9,11,12-octasila-1,4,7,10(2,5)-tetrathiophenacyclododecaphane (c-Th4). The dataset includes variable-temperature X-ray diffraction and differential scanning calorimetry results, confirming little structural deformation and few thermal events up to its melting point. Author Toyotaka Nakae published the data on figshare in March 2026.

Use Cases

• Analyzing the relationship between intramolecular free volume and thermal responsiveness based on the comparative analysis with c-Ph4 mentioned in the description
• Studying the role of thienylene bond angles in restricting intramolecular motion based on the structural findings
• Modeling columnar molecular assembly via CH−π interactions based on the single-crystal X-ray diffraction results
• Comparing chair-like square geometries of σ–π-conjugated macrocycles based on the structural data

Strengths

• Includes single-crystal X-ray diffraction data revealing a chair-like square geometry
• Contains comparative analysis with a previously reported analogue (c-Ph4) to highlight structural differences
• Data confirms no structural phase transition up to the melting point, a key finding

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• The dataset is small (434.0 KB), indicating limited scope

Provenance

Source

figshare

Collection Method

Data generated via Pd-catalyzed cyclization synthesis and subsequent analysis with single-crystal X-ray diffraction and differential scanning calorimetry.

Time Range

The temporal coverage of the experimental measurements is not specified.

Freshness

Last updated 2026-03-25 18:34:14; freshness should be verified

Geography

Spatial coverage is not applicable for this crystallographic data.