Information card for entry 7208503

Structure parameters

• Formula: C18 H27 N3 O6
• Calculated formula: C18 H27 N3 O6
• SMILES: O(C(=O)NCCC)c1cc(OC(=O)NCCC)cc(OC(=O)NCCC)c1
• Title of publication: Hydrogen bonded chiral sheet self-assembled from a C3-symmetric tricarbamate
• Authors of publication: Singh, Rajiv K.; Hou, Xiaodong; Overby, Molly; Schober, Matthew; Chu, Qianli
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6132
• a: 13.4049 ± 0.0004 Å
• b: 48.9616 ± 0.0014 Å
• c: 12.2121 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8015.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No