Information card for entry 7130554

Structure parameters

• Formula: C23 H25 N O6
• Calculated formula: C23 H25 N O6
• SMILES: c12ccccc1c1CC(CC(=C\C=C\C(=O)OCC)/c1n2C)(C(=O)OC)C(=O)OC
• Title of publication: An approach to functionalized carbazoles from Z-enoate propargylic alcohols. A unified total synthesis of N-Me-carazostatin, N-Me-carbazoquinocin C and N-Me-Lipocarbazole A4
• Authors of publication: Baire, Beeraiah; Roy, Debayan; Tharra, Prabhakararao
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.316 ± 0.0003 Å
• b: 10.2395 ± 0.0005 Å
• c: 12.7297 ± 0.0006 Å
• α: 83.941 ± 0.002°
• β: 84.824 ± 0.002°
• γ: 74.004 ± 0.002°
• Cell volume: 1034.04 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No