Information card for entry 7232897

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: 13.6132 ± 0.0007 Å
• b: 14.5917 ± 0.0008 Å
• c: 6.2617 ± 0.0003 Å
• α: 90°
• β: 95.935 ± 0.002°
• γ: 90°
• Cell volume: 1237.16 ± 0.11 ų
• Cell temperature: 224 K
• Ambient diffraction temperature: 224 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: 0.0544
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No