Information card for entry 2238801

Structure parameters

• Chemical name: 4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline
• Formula: C20 H15 N
• Calculated formula: C20 H15 N
• SMILES: C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: 4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline
• Authors of publication: Wang, Wan-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1722
• a: 9.0532 ± 0.0008 Å
• b: 16.8067 ± 0.0015 Å
• c: 19.2508 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2929.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No