Information card for entry 2106007

Structure parameters

• Common name: HNA
• Formula: C11 H8 O3
• Calculated formula: C11 H8 O3
• SMILES: OC(=O)c1ccc2ccccc2c1O
• 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: 6.9798 ± 0.0009 Å
• b: 3.8107 ± 0.0006 Å
• c: 32.79 ± 0.005 Å
• α: 90°
• β: 93.901 ± 0.008°
• γ: 90°
• Cell volume: 870.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No