Information card for entry 7061164

Structure parameters

• Formula: C35 H24 O
• Calculated formula: C35 H24 O
• SMILES: O1c2cc3C4c5ccccc5C(c5c4cccc5)c3cc2C=CC1(c1ccccc1)c1ccccc1
• Title of publication: Homoconjugation in triptycenes: an inquiry through photochromism
• Authors of publication: Jana, Kanyashree; Moorthy, Jarugu Narasimha
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 1416 - 1422
• a: 8.858 ± 0.004 Å
• b: 14.662 ± 0.006 Å
• c: 18.902 ± 0.008 Å
• α: 90°
• β: 102.093 ± 0.013°
• γ: 90°
• Cell volume: 2400.4 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1746
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No