Information card for entry 2218497

Structure parameters

• Chemical name: 2-Methyl-1,1,3,3-tetraphenylpropan-2-ol
• Formula: C28 H26 O
• Calculated formula: C28 H26 O
• SMILES: OC(C(c1ccccc1)c1ccccc1)(C(c1ccccc1)c1ccccc1)C
• Title of publication: 2-Methyl-1,1,3,3-tetraphenylpropan-2-ol
• Authors of publication: Shi, Da-Xin; Zhang, Li-Jun; Zhang, Qi; Li, Jia-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1115
• a: 8.4313 ± 0.0004 Å
• b: 23.8539 ± 0.0011 Å
• c: 10.342 ± 0.0005 Å
• α: 90°
• β: 96.624 ± 0.003°
• γ: 90°
• Cell volume: 2066.09 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes