Information card for entry 2236015

Structure parameters

• Chemical name: Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate
• Formula: C30 H41 N O6
• Calculated formula: C30 H41 N O6
• SMILES: O=C1[C@]2(CC[C@@H]3[C@](CC[C@@H]4[C@](CCC[C@@]34C)(C)C(=O)OCC)(C2)[C@@H]1COCc1ccccc1N(=O)=O)C
• Title of publication: Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate
• Authors of publication: Wu, Ya; Wang, Xia; Gong, Jian-hong; Tao, Jing-chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2342
• a: 8.3711 ± 0.0017 Å
• b: 11.419 ± 0.002 Å
• c: 28.685 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2742 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0836
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes