Information card for entry 1503032

Structure parameters

• Formula: C25 H45 N O5 Si
• Calculated formula: C24 H41 N O5 Si
• SMILES: [Si](O[C@@H]1[C@]2(CC(=O)[C@]3(O)[C@]42CC[C@@H](C[C@H]4N(=O)=O)C3)CC(CC1)(C)C)(C(C)(C)C)(C)C.[Si](O[C@H]1[C@@]2(CC(=O)[C@@]3(O)[C@@]42CC[C@H](C[C@@H]4N(=O)=O)C3)CC(CC1)(C)C)(C(C)(C)C)(C)C
• Title of publication: A synthesis of the carbocyclic core of maoecrystal V.
• Authors of publication: Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3010 - 3013
• a: 15.8878 ± 0.0005 Å
• b: 11.8265 ± 0.0004 Å
• c: 13.325 ± 0.0004 Å
• α: 90°
• β: 104.477 ± 0.002°
• γ: 90°
• Cell volume: 2424.23 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No