Information card for entry 7219239

Structure parameters

• Chemical name: p-cresol
• Formula: C7 H8 O
• Calculated formula: C7 H8 O
• Title of publication: Solid state structures of p-cresol revisited
• Authors of publication: Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5134
• a: 5.6775 ± 0.0003 Å
• b: 11.7141 ± 0.0007 Å
• c: 18.3172 ± 0.0011 Å
• α: 90°
• β: 98.832 ± 0.001°
• γ: 90°
• Cell volume: 1203.77 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No