Information card for entry 2208085

Structure parameters

• Chemical name: 3,3,6,6-Tetraphenyl-<i>trans</i>-tricyclo[3.1.0.0^2,4^]hexane
• Formula: C30 H24
• Calculated formula: C30 H24
• SMILES: c1ccc(cc1)C1([C@@H]2[C@H]1[C@@H]1[C@H]2C1(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 3,3,6,6-Tetraphenyl-<i>trans</i>-tricyclo[3.1.0.0^2,4^]hexane
• Authors of publication: Clark, George R.; Tonei, Deborah M.; Roper, Warren R.; Wright, L. James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o534 - o535
• a: 8.1918 ± 0.0005 Å
• b: 18.4683 ± 0.0012 Å
• c: 7.0314 ± 0.0004 Å
• α: 90°
• β: 98.709 ± 0.001°
• γ: 90°
• Cell volume: 1051.51 ± 0.11 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 2
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes