Information card for entry 8107676

Structure parameters

• Common name: 6-hydroxy-2-naphthoic acid
• Chemical name: 6-hydroxy-2-naphthoic acid
• Formula: C11 H8 O3
• Calculated formula: C11 H8 O3
• Title of publication: The crystal structure of a new polymorph of 6-hydroxy-2-naphthoic acid, C11H8O3
• Authors of publication: Smith, Mark G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1113 - 1114
• a: 8.6478 ± 0.0008 Å
• b: 5.2261 ± 0.0005 Å
• c: 18.7921 ± 0.0018 Å
• α: 90°
• β: 94.518 ± 0.003°
• γ: 90°
• Cell volume: 846.66 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0788
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No