Information card for entry 8102482

Structure parameters

• Formula: C19 H15 N O
• Calculated formula: C19 H15 N O
• SMILES: O=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Crystal structure of 4-formylphenyl-diphenylamine, C19H15NO
• Authors of publication: Xiaochuan Li; Woo Taik Lim; Sung-Hoon Kim; Young-A Son
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 459
• a: 12.028 ± 0.002 Å
• b: 11.352 ± 0.002 Å
• c: 10.73 ± 0.002 Å
• α: 90°
• β: 101.41 ± 0.03°
• γ: 90°
• Cell volume: 1436.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.76999 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No