Information card for entry 2204492

Structure parameters

• Chemical name: p-Anisolecarbonitrile
• Formula: C8 H7 N O
• Calculated formula: C8 H7 N O
• SMILES: C(#N)c1ccc(cc1)OC
• Title of publication: <i>p</i>-Anisolecarbonitrile
• Authors of publication: Lesley, M. J. Gerald; Pineau, Mark R.; Hunter, Allen D.; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1937 - o1938
• a: 7.5924 ± 0.0007 Å
• b: 8.6639 ± 0.0008 Å
• c: 21.7191 ± 0.0019 Å
• α: 90°
• β: 107.396 ± 0.002°
• γ: 90°
• Cell volume: 1363.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes