Information card for entry 7232896

Structure parameters

• Chemical name: methoxybenzene
• Formula: C7 H8 O
• Calculated formula: C7 H8 O
• Title of publication: A structural exploration of anisole accessed through extreme crystallisation conditions
• Authors of publication: Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 4422
• a: 13.7 ± 0.004 Å
• b: 5.4468 ± 0.0008 Å
• c: 7.8567 ± 0.0011 Å
• α: 90°
• β: 98.401 ± 0.018°
• γ: 90°
• Cell volume: 580 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0616
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No