Information card for entry 1547092

Structure parameters

• Formula: C25 H25 Br O7
• Calculated formula: C25 H25 Br O7
• SMILES: Brc1ccc(cc1)C(=O)OCC[C@@]1(C(=O)CC[C@@H]2OC(O[C@H]12)(C)C)c1cc2OCOc2cc1
• Title of publication: Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.
• Authors of publication: Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3516 - 3519
• a: 6.5332 ± 0.0016 Å
• b: 8.086 ± 0.002 Å
• c: 44.285 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2339.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1343
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No