Information card for entry 2202771

Structure parameters

• Chemical name: 2,6-Bis(triphenylacetylamino)phenol
• Formula: C46 H36 N2 O3
• Calculated formula: C46 H36 N2 O3
• SMILES: O=C(Nc1c(O)c(NC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2,6-Bis(triphenylacetylamino)phenol
• Authors of publication: Onoda, Akira; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1202 - o1204
• a: 13.91 ± 0.004 Å
• b: 13.425 ± 0.004 Å
• c: 19.074 ± 0.006 Å
• α: 90°
• β: 99.074 ± 0.019°
• γ: 90°
• Cell volume: 3517.3 ± 1.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.1276
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No