Information card for entry 4513732

Structure parameters

• Formula: C45 H85 N3 O15
• Calculated formula: C45 H85 N3 O15
• SMILES: O1[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3O[C@H]([C@H](O)[C@](OC)(C3)C)C)[C@H](C(=O)O[C@@H]([C@@](O)([C@@H]3O[C@@H](N[C@H]([C@@H]3C)[C@@H](C[C@]2(O)C)C)COCCOC)C)CC)C)[C@H](O)[C@@H](N(C)C)C[C@H]1C.C(=O)N(C)C
• Title of publication: Structural Correspondence of the Oriented Attachment Growth Mechanism of Crystals of the Pharmaceutical Dirithromycin.
• Authors of publication: Liang, Zuozhong; Wang, Yuan; Wang, Wei; Han, Xianglong; Chen, Jian-Feng; Xue, Chunyu; Zhao, Hong
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 51
• Pages of publication: 13802 - 13812
• a: 14.3719 ± 0.0008 Å
• b: 11.6958 ± 0.0005 Å
• c: 14.695 ± 0.003 Å
• α: 90°
• β: 94.89 ± 0.008°
• γ: 90°
• Cell volume: 2461.1 ± 0.5 ų
• Cell temperature: 100.3 K
• Ambient diffraction temperature: 100.3 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: 0.06
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No