Information card for entry 4001652

Structure parameters

• Chemical name: 1,4-di-p-toluidinoanthraquinone
• Formula: C28 H22 N2 O2
• Calculated formula: C28 H22 N2 O2
• SMILES: O=C1c2c(Nc3ccc(cc3)C)ccc(Nc3ccc(cc3)C)c2C(=O)c2c1cccc2
• Title of publication: Orientational Dependence of the Color and Photoconductivity of 1,4-Di-p-toluidinoanthraquinone Single Crystals
• Authors of publication: Saito, Toshiro; Liu, Chong-yang; Lynch, Vincent M.; Bard, Allen J.
• Journal of publication: Chemistry of Materials
• Year of publication: 1997
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1318
• a: 3.9494 ± 0.0006 Å
• b: 26.391 ± 0.008 Å
• c: 19.93 ± 0.004 Å
• α: 90°
• β: 95.3 ± 0.02°
• γ: 90°
• Cell volume: 2068.4 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.2054
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections: 0.1883
• Weighted residual factors for significantly intense reflections: 0.1339
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No