Information card for entry 2212119

Structure parameters

• Chemical name: 1-[2-(Dimethylaminomethyl)phenyl]-2,3,4,5-tetraphenylcyclopentadien-1-ol
• Formula: C38 H33 N O
• Calculated formula: C38 H33 N O
• SMILES: C1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1c(cccc1)CN(C)C)O
• Title of publication: 1-[2-(Dimethylaminomethyl)phenyl]-2,3,4,5-tetraphenylcyclopentadien-1-ol
• Authors of publication: Erben, Milan; Císařová, Ivana; Dušek, Michal; Vinklárek, Jaromír
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o577 - o579
• a: 10.1507 ± 0.0003 Å
• b: 11.1701 ± 0.0003 Å
• c: 14.3299 ± 0.0003 Å
• α: 91.3388 ± 0.0016°
• β: 100.069 ± 0.0017°
• γ: 115.445 ± 0.0011°
• Cell volume: 1435.69 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes