Information card for entry 2205820

Structure parameters

• Chemical name: Methyl 1-hydroxy-2-naphthoate
• Formula: C12 H10 O3
• Calculated formula: C12 H10 O3
• SMILES: c1(c(ccc2ccccc12)C(=O)OC)O
• Title of publication: Methyl 1-hydroxy-2-naphthoate
• Authors of publication: Jin, Long-Fei; Xiao, Feng-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1520 - o1522
• a: 8.7325 ± 0.0011 Å
• b: 9.0677 ± 0.0012 Å
• c: 13.6287 ± 0.0017 Å
• α: 98.41 ± 0.002°
• β: 108.229 ± 0.002°
• γ: 102.689 ± 0.002°
• Cell volume: 972.7 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes