Information card for entry 7102166

Structure parameters

• Common name: (1S,2R,3S,5Z,7S,9R,10R,11Z,14S)-3-(Benzyloxy)-7- dimethyl(phenyl)silyl-cladiella-5(6),11(12)-diene-(E)-semicarbazide
• Chemical name: (1S,2R,3S,5Z,7S,9R,10R,11Z,14S)-3-(Benzyloxy)-7-dimethyl(phenyl)silyl- cladiella-5(6),11(12)-diene-(E)-semicarbazide
• Formula: C32 H41 N3 O3 Si
• Calculated formula: C32 H41 N3 O3 Si
• SMILES: [C@H]1([Si](C)(C)c2ccccc2)C[C@H]2O[C@H]([C@H]3[C@@H]2C(=CC[C@@H]3/C=N/NC(=O)N)C)[C@@H](OCc2ccccc2)C/C=C\1
• Title of publication: An organocatalytic approach to the core of eunicellin.
• Authors of publication: Gilmour, Ryan; Prior, Timothy J; Burton, Jonathan W; Holmes, Andrew B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 3954 - 3956
• a: 15.63 ± 0.005 Å
• b: 6.649 ± 0.005 Å
• c: 15.862 ± 0.005 Å
• α: 90°
• β: 117.866 ± 0.005°
• γ: 90°
• Cell volume: 1457.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.237
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.8464 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No