Information card for entry 4023101

Structure parameters

• Common name: 07197a
• Formula: C36 H44 N2 O3 Si
• Calculated formula: C36 H44 N2 O3 Si
• SMILES: [Si](OC[C@H](C1=CCC(=C)[C@H](O1)N1C(=O)N([C@H]([C@H]1c1ccccc1)C)C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin
• Authors of publication: Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9722 - 9731
• a: 7.1077 ± 0.0007 Å
• b: 23.996 ± 0.002 Å
• c: 9.9653 ± 0.0009 Å
• α: 90°
• β: 105.838 ± 0.002°
• γ: 90°
• Cell volume: 1635.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No