Information card for entry 7203933

Structure parameters

• Formula: C29 H36 Cl N O5 Si
• Calculated formula: C29 H36 Cl N O5 Si
• SMILES: [Si](OC[C@H]1O[C@H]2[C@@H](C1=N(=O)[C@H]1C=C[C@H](Cl)C1)OC(O2)(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: 10.005 ± 0.001 Å
• b: 12.53 ± 0.001 Å
• c: 23.255 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.3 ± 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: 0.2034
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No