Information card for entry 1514887

Structure parameters

• Formula: C27 H41 N3 O3
• Calculated formula: C27 H41 N3 O3
• SMILES: O[C@H]1C[C@@H]2[C@]3(CC[C@H](N=N#N)C[C@H]3CC[C@H]2[C@H]2[C@]1([C@H](CC2)[C@H](C)CCC(=O)OCC#C)C)C
• Title of publication: Metal-free click approach for facile production of main chain poly(bile acid)s
• Authors of publication: Li, Weina; Tian, Tian; Zhu, Wei; Cui, Jiecheng; Ju, Yong; Li, Guangtao
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3057
• a: 11.2993 ± 0.0015 Å
• b: 7.8614 ± 0.0011 Å
• c: 14.373 ± 0.002 Å
• α: 90°
• β: 94.716 ± 0.01°
• γ: 90°
• Cell volume: 1272.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No