Information card for entry 1501552

Structure parameters

• Formula: C32 H40 N4 O12 Sn
• Calculated formula: C32 H40 N4 O12 Sn
• SMILES: [Sn](c1c[nH]c(=O)cc1)(c1c[nH]c(=O)cc1)(c1c[nH]c(=O)cc1)c1c[nH]c(=O)cc1.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O
• Title of publication: Tectonique Moléculaire: Stabilisation d'un polymorphe d'inclusion métastable
• Authors of publication: Okba Saied; Thierry Maris; Michel Simard; Wuest,James D
• Journal of publication: Journal de la Société Chimique de Tunisie
• Year of publication: 2009
• Journal volume: 11
• Pages of publication: 101 - 107
• a: 8.612 ± 0.005 Å
• b: 13.909 ± 0.005 Å
• c: 15.522 ± 0.005 Å
• α: 104.233 ± 0.005°
• β: 98.682 ± 0.005°
• γ: 92.148 ± 0.005°
• Cell volume: 1776.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No