Information card for entry 1502601

Structure parameters

• Formula: C29 H44 O6 Si
• Calculated formula: C29 H44 O6 Si
• SMILES: [Si](O[C@H]1[C@H](OCc2ccccc2)[C@H]2OC(O[C@]2([C@@]2(O)C(=O)C=CC[C@@H]12)CCC)(C)C)(C)(C)C(C)(C)C
• Title of publication: Gram-scale synthesis of the A'B'-subunit of angelmicin B.
• Authors of publication: Milgram, Benjamin C.; Liau, Brian B.; Shair, Matthew D.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6436 - 6439
• a: 11.575 ± 0.0004 Å
• b: 8.1302 ± 0.0003 Å
• c: 16.0924 ± 0.0005 Å
• α: 90°
• β: 107.288 ± 0.002°
• γ: 90°
• Cell volume: 1445.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No