Information card for entry 1512340

Structure parameters

• Formula: C36 H51 N O8 Se
• Calculated formula: C36 H51 N O8 Se
• SMILES: [Se]([C@@H]1[C@H]2C[C@@H](O)CC[C@@]2([C@@H]2[C@](O)(C1=O)C(=O)O[C@@H]1CO[C@@]3(OC[C@](ON4C(CCCC4(C)C)(C)C)(CC2)[C@H]13)C)C)c1ccccc1
• Title of publication: Synthesis of glaucogenin d, a structurally unique disecopregnane steroid with potential antiviral activity.
• Authors of publication: Gui, Jinghan; Tian, Hailong; Tian, Weisheng
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4802 - 4805
• a: 12.1342 ± 0.0007 Å
• b: 12.8992 ± 0.0007 Å
• c: 22.5938 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No