Information card for entry 7104634

Structure parameters

• Common name: 4-Benzyl-9-chloro-6-phenyl-1,2,3,3a,4,5a,6,10b- octahydronaphtho(3,2,1-cd)indol-5
• Formula: C28 H26 Cl N O
• Calculated formula: C28 H26 Cl N O
• SMILES: c1ccc(cc1)CN1C(=O)[C@H]2[C@@H]3[C@H]1CCC[C@@H]3c1c([C@H]2c2ccccc2)cc(cc1)Cl.c1ccc(cc1)CN1C(=O)[C@@H]2[C@H]3[C@@H]1CCC[C@H]3c1c([C@@H]2c2ccccc2)cc(cc1)Cl
• 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: 11.383 ± 0.002 Å
• b: 9.309 ± 0.0019 Å
• c: 21.432 ± 0.004 Å
• α: 90°
• β: 100.41 ± 0.03°
• γ: 90°
• Cell volume: 2233.6 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No