Information card for entry 2202267

Structure parameters

• Formula: C12 H11 N
• Calculated formula: C12 H11 N
• SMILES: N(c1ccccc1)c1ccccc1
• Title of publication: Diphenylamine
• Authors of publication: Mark A. Rodriguez; Scott D. Bunge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1123 - o1125
• a: 9.853 ± 0.003 Å
• b: 9.882 ± 0.003 Å
• c: 37.944 ± 0.011 Å
• α: 83.845 ± 0.006°
• β: 88.531 ± 0.006°
• γ: 89.856 ± 0.005°
• Cell volume: 3672 ± 1.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes