Information card for entry 4022885

Structure parameters

• Formula: C42 H80 O6 Si2
• Calculated formula: C42 H79 O6 Si2
• SMILES: [Si](OC/C=C([C@@H](O)C[C@@H]1C(=C)CCCC1(C)C)\CO)(C)(C)C(C)(C)C.[Si](OC/C=C([C@H](O)C[C@H]1C(=C)CCCC1(C)C)\CO)(C)(C)C(C)(C)C
• Title of publication: First Total Synthesis and Assignment of the Stereochemistry of Crispatenine
• Authors of publication: Julien Bourdron; Laurent Commeiras; Gérard Audran; Nicolas Vanthuyne; J. C. Hubaud; Jean-Luc Parrain
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3770 - 3775
• a: 11.3184 ± 0.0004 Å
• b: 13.7588 ± 0.0004 Å
• c: 15.7957 ± 0.0006 Å
• α: 84.63 ± 0.001°
• β: 80.456 ± 0.001°
• γ: 83.949 ± 0.002°
• Cell volume: 2404.99 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2714
• Residual factor for significantly intense reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.376
• Weighted residual factors for all reflections included in the refinement: 0.4404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No