Information card for entry 8102483

Structure parameters

• Formula: C22 H19 N3
• Calculated formula: C22 H15 N3
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(cc1)C=C(C#N)C#N
• Title of publication: Crystal structure of 2-(4-(diphenylamino)benzylidene)malononitrile, C22H15N3
• 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: 493
• a: 6.907 ± 0.0014 Å
• b: 15.666 ± 0.003 Å
• c: 16.101 ± 0.003 Å
• α: 90°
• β: 95.13 ± 0.03°
• γ: 90°
• Cell volume: 1735.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.76999 Å
• Diffraction radiation type: Synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No