Information card for entry 4509326

Structure parameters

• Formula: C4 H23 N3 O9 P2
• Calculated formula: C4 H23 N3 O9 P2
• Title of publication: A Novel Supramolecular Resin Based On an Organic Acid−Base Compound
• Authors of publication: Chen, Shuo-ping; Pan, Ling-ling; Yuan, Yi-xuan; Shi, Xi-xi; Yuan, Liang-jie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2668
• a: 5.6469 ± 0.0016 Å
• b: 9.008 ± 0.003 Å
• c: 13.229 ± 0.004 Å
• α: 97.626 ± 0.004°
• β: 99.857 ± 0.005°
• γ: 101.154 ± 0.004°
• Cell volume: 640.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No