Information card for entry 4117829

Structure parameters

• Formula: C38 H29 N O3 Si
• Calculated formula: C38 H29 N O3 Si
• SMILES: [Si]1(OC2=C([C@@H]3[C@H]([C@H](C2)c2ccccc2)/C(=N\O)c2c(C3=O)cccc2)c2c1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Hybrid Metal/Organo Relay Catalysis Enables Enynes To Be Latent Dienes for Asymmetric Diels-Alder Reaction
• Authors of publication: Zhi-Yong Han; Dian-Feng Chen; Ya-Yi Wang; Rui Guo; Pu-Sheng Wang; Chao Wang; Liu-Zhu Gong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6532 - 6535
• a: 8.7605 ± 0.0002 Å
• b: 11.7073 ± 0.0004 Å
• c: 29.4967 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3025.23 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No