Information card for entry 4037231

Structure parameters

• Formula: C41 H43 N O7 S
• Calculated formula: C41 H43 N O7 S
• SMILES: S(=O)(=O)(N([C@H]1[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: A Chiron Approach to Diversity-Oriented Synthesis of Aminocyclitols, (-)-Conduramine F-4 and Polyhydroxyaminoazepanes from a Common Precursor.
• Authors of publication: Harit, Vimal Kant; Ramesh, Namakkal G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 23
• Pages of publication: 11574 - 11586
• a: 11.133 ± 0.003 Å
• b: 12.927 ± 0.003 Å
• c: 25.645 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3690.7 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No