Information card for entry 2007553

Structure parameters

• Formula: C12 H10 O2
• Calculated formula: C12 H10 O2
• SMILES: Oc1ccccc1c1ccccc1O
• Title of publication: 2,2'-Biphenol
• Authors of publication: Byrne, Janice J.; Chavant, Pierre Y.; Averbuch-Pouchot, Marie-Thérèse; Vallée, Yannick
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1154 - 1156
• a: 7.392 ± 0.002 Å
• b: 8.965 ± 0.006 Å
• c: 14.925 ± 0.004 Å
• α: 90°
• β: 102.9 ± 0.02°
• γ: 90°
• Cell volume: 964.1 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.042
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for all reflections: 1.768
• Goodness-of-fit parameter for significantly intense reflections: 1.768
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes