Information card for entry 7104635

Structure parameters

• Common name: 11-Acetyl-6-benzyl-8-phenyl-1,2,3,4,5,5a,6,7a,8,12b- decahydrobenzo(f)cycloocta(c
• Formula: C32 H33 N O2
• Calculated formula: C32 H33 N O2
• SMILES: CC(=O)c1ccc2c(c1)[C@H]1[C@H]3[C@@H]([C@@H]2c2ccccc2)C(=O)N([C@@H]3CCCCC1)Cc1ccccc1.CC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3[C@H]([C@H]2c2ccccc2)C(=O)N([C@H]3CCCCC1)Cc1ccccc1
• Title of publication: Rapid construction of five contiguous stereocenters in a multi-cascade reaction.
• Authors of publication: Hu, Yimin; Ouyang, Ying; Qu, Yuan; Hu, Qiong; Yao, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 30
• Pages of publication: 4575 - 4577
• a: 10.3312 ± 0.0015 Å
• b: 11.398 ± 0.002 Å
• c: 11.5132 ± 0.0013 Å
• α: 78.511 ± 0.002°
• β: 83.442 ± 0.003°
• γ: 69.991 ± 0.002°
• Cell volume: 1246.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No