Information card for entry 2201559

Structure parameters

• Formula: C11 H8 O3
• Calculated formula: C11 H8 O3
• SMILES: OC(=O)c1cc2c(cc1O)cccc2
• Title of publication: Redetermination of 3-hydroxy-2-naphthoic acid
• Authors of publication: Schmidt, Martin U.; Wagner, Guido; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o918 - o919
• a: 9.9942 ± 0.001 Å
• b: 11.6591 ± 0.0011 Å
• c: 7.6298 ± 0.0009 Å
• α: 90°
• β: 104.392 ± 0.009°
• γ: 90°
• Cell volume: 861.15 ± 0.16 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: 0.0492
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes