Information card for entry 4500309

Structure parameters

• Common name: Phloroglucinol dihyrate
• Chemical name: 1, 3, 5-trihydroxybenzene dihydrate
• Formula: C6 H10 O5
• Calculated formula: C6 H10 O5
• Title of publication: Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.
• Authors of publication: Seaton, Colin C.; Parkin, Andrew
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1502
• a: 6.5876 ± 0.0005 Å
• b: 13.517 ± 0.0008 Å
• c: 8.0345 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 715.43 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No