Information card for entry 4104703

Structure parameters

• Formula: C30 H37 N O6
• Calculated formula: C30 H37 N O6
• SMILES: O([C@H]1CCC[C@H]2[C@]34N5[C@@H](C)CC[C@@H]6[C@H]5C[C@H]3C[C@]6(O)C4=C([C@@H](OC(=O)c3ccccc3)[C@H]12)C(=O)OC)C
• Title of publication: Total Synthesis of (-)-Himandrine
• Authors of publication: Mohammad Movassaghi; Meiliana Tjandra; Jun Qi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9648 - 9650
• a: 8.3136 ± 0.0002 Å
• b: 8.7575 ± 0.0002 Å
• c: 10.6508 ± 0.0003 Å
• α: 78.823 ± 0.001°
• β: 67.434 ± 0.001°
• γ: 62.095 ± 0.001°
• Cell volume: 632.72 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No