Information card for entry 7118807

Structure parameters

• Formula: C30 H34 N2 O9
• Calculated formula: C30 H34 N2 O9
• SMILES: O(c1cccc2c1N1[C@@]3(N([C@H](C[C@]23O)C(=O)OCc2ccccc2)C(=O)OC(C)(C)C)[C@H](CCC1=O)C(=O)OC)C
• Title of publication: Enantioselective total synthesis and structural reassignment of (+)-alsmaphorazine E via a traceless chirality transfer strategy.
• Authors of publication: Yu, Kuan; Gao, Beiling; Liu, Zhaobo; Ding, Hanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 24
• Pages of publication: 4485 - 4488
• a: 9.09127 ± 0.00013 Å
• b: 10.54359 ± 0.00015 Å
• c: 30.6974 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.49 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No