Information card for entry 2204234

Structure parameters

• Chemical name: m-Cyanophenol
• Formula: C7 H5 N O
• Calculated formula: C7 H5 N O
• SMILES: c1(cc(ccc1)C#N)O
• Title of publication: <i>m</i>-Cyanophenol
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1513 - o1514
• a: 6.828 ± 0.002 Å
• b: 7.197 ± 0.003 Å
• c: 7.384 ± 0.003 Å
• α: 70.22 ± 0.01°
• β: 74.28 ± 0.01°
• γ: 65.7 ± 0.01°
• Cell volume: 307.5 ± 0.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes