Information card for entry 3500149

Structure parameters

• Formula: C12 H10 O
• Calculated formula: C12 H10 O
• Title of publication: Non spherical atom form-factors refinement of 4-Hydroxybiphenyl
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2026
• a: 19.9626 ± 0.0005 Å
• b: 5.4251 ± 0.0001 Å
• c: 7.9004 ± 0.0002 Å
• α: 90°
• β: 94.46 ± 0.001°
• γ: 90°
• Cell volume: 853.02 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0441
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes