Information card for entry 2200518

Structure parameters

• Formula: C12 H9 Cl O2
• Calculated formula: C12 H9 Cl O2
• SMILES: Oc1cc(c2ccc(Cl)cc2)ccc1O
• Title of publication: 4-Chloro-3',4'-dihydroxybiphenyl
• Authors of publication: Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o590 - o591
• a: 18.358 ± 0.001 Å
• b: 6.621 ± 0.002 Å
• c: 8.356 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1015.7 ± 0.5 ų
• Cell temperature: 144 ± 1 K
• Ambient diffraction temperature: 144 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes