Information card for entry 1518296

Structure parameters

• Formula: C24 H38 Cl N3 O4 Si
• Calculated formula: C24 H38 Cl N3 O4 Si
• SMILES: [Si](OC[C@@H]1N(N([C@@H](C=C1)C)C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C)(C)(C)C(C)(C)C
• Title of publication: Asymmetric Hetero-Diels-Alder Reaction of Diazenes Catalyzed by Chiral Silver Phosphate: Water Participates in the Catalysis and Stereocontrol.
• Authors of publication: Liu, Bin; Liu, Tong-Yu; Luo, Shi-Wei; Gong, Liu-Zhu
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6164
• a: 9.2055 ± 0.0004 Å
• b: 13.5568 ± 0.0005 Å
• c: 23.141 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2887.93 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No