Information card for entry 7212718

Structure parameters

• Chemical name: 6-hydroxy-2-naphthoic acid 1,4-dioxane solvate
• Formula: C13 H8 O4
• Calculated formula: C13 H8 O4
• Title of publication: Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation
• Authors of publication: Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3065
• a: 7.4451 ± 0.0004 Å
• b: 5.9568 ± 0.0003 Å
• c: 24.7267 ± 0.0013 Å
• α: 90°
• β: 96.319 ± 0.001°
• γ: 90°
• Cell volume: 1089.94 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No