Information card for entry 2233486

Structure parameters

• Chemical name: Ethyl <i>ent</i>-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate
• Formula: C31 H44 O5
• Calculated formula: C31 H44 O5
• SMILES: C1CC[C@@]([C@H]2CC[C@@]34[C@H]([C@]12C)CC[C@@](C3)(C(=O)[C@H]4COCc1c(cccc1)OC)C)(C)C(=O)OCC
• Title of publication: Ethyl <i>ent</i>-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate
• Authors of publication: Wu, Ya; Wang, Xia; Gong, Jian-hong; Wei, Chang-yong; Tao, Jing-chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o495
• a: 8.7047 ± 0.0017 Å
• b: 10.749 ± 0.002 Å
• c: 29.653 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2774.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes