Information card for entry 4501678

Structure parameters

• Chemical name: 3,5-Dihydroxybenzoicacid, dioxane
• Formula: C9 H10 O5
• Calculated formula: C9 H10 O5
• Title of publication: Polymorphism in Isomeric Dihydroxybenzoic Acids
• Authors of publication: Sarma, Bipul; Sanphui, Palash; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2388
• a: 14.878 ± 0.006 Å
• b: 8.321 ± 0.004 Å
• c: 7.027 ± 0.003 Å
• α: 90°
• β: 94.826 ± 0.007°
• γ: 90°
• Cell volume: 866.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No