Information card for entry 2106008

Structure parameters

• Common name: HNA
• Formula: C11 H8 O3
• Calculated formula: C11 H8 O3
• SMILES: OC(=O)c1c(O)c2ccccc2cc1
• Title of publication: A new polymorph of 1-hydroxy-2-naphthoic acid obtained during failed co-crystallization experiments
• Authors of publication: Zhang, Qi; Li, Meiqi; Mei, Xuefeng
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 20.92 ± 0.005 Å
• b: 6.9926 ± 0.0014 Å
• c: 14.688 ± 0.003 Å
• α: 90°
• β: 125.339 ± 0.01°
• γ: 90°
• Cell volume: 1752.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No