Information card for entry 2204606

Structure parameters

• Chemical name: 1-Hydroxymethyl-2,2-diphenylethyl 2,4,6-trimethylphenyl ketone
• Formula: C25 H26 O2
• Calculated formula: C25 H26 O2
• SMILES: O=C(C(CO)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C
• Title of publication: 1-Hydroxymethyl-2,2-diphenylethyl 2,4,6-trimethylphenyl ketone
• Authors of publication: Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Logaraj, Sundaram; Hurd, Phillip W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2432 - o2433
• a: 11.7361 ± 0.0007 Å
• b: 10.57 ± 0.0007 Å
• c: 16.0857 ± 0.001 Å
• α: 90°
• β: 95.574 ± 0.003°
• γ: 90°
• Cell volume: 1986 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0613
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes