Information card for entry 7203932

Structure parameters

• Formula: C24 H30 Cl N O5 Si
• Calculated formula: C24 H30 Cl N O5 Si
• SMILES: [Si](OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@]1(Cl)N=O)(C)C)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine
• Authors of publication: Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 329
• a: 9.92 ± 0.001 Å
• b: 10.103 ± 0.001 Å
• c: 25.963 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2602.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1265
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No