Information card for entry 4036279

Structure parameters

• Formula: C32 H32 N3 O4.5 S3
• Calculated formula: C32 H32 N2 O4.5 S3
• SMILES: S(=O)(=O)(N1[C@H]2[C@@H](CC=C3N(C(=S)C[C@]23c2c1cccc2)Cc1ccccc1)C(=O)SCC)c1ccc(OC)cc1.O=C(OCC)C
• Title of publication: Chiral Holmium Complex-Catalyzed Synthesis of Hydrocarbazole from Siloxyvinylindole and Its Application to the Enantioselective Total Synthesis of (-)-Minovincine.
• Authors of publication: Morikawa, Takahiro; Harada, Shinji; Nishida, Atsushi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 17
• Pages of publication: 8859 - 8867
• a: 8.8195 ± 0.0007 Å
• b: 16.5259 ± 0.0013 Å
• c: 20.684 ± 0.002 Å
• α: 88.992 ± 0.004°
• β: 89.512 ± 0.004°
• γ: 82.169 ± 0.004°
• Cell volume: 2986.1 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.4305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No