Information card for entry 4032678

Structure parameters

• Formula: C26 H24 Cl N O2 S
• Calculated formula: C26 H24 Cl N O2 S
• SMILES: S(=O)(=O)(n1c2ccccc2c2[C@@H]([C@H](Cl)C[C@@H](c12)c1ccccc1)C)c1ccc(cc1)C.S(=O)(=O)(n1c2ccccc2c2[C@H]([C@@H](Cl)C[C@H](c12)c1ccccc1)C)c1ccc(cc1)C
• Title of publication: One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.
• Authors of publication: Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 6729 - 6737
• a: 10.333 ± 0.003 Å
• b: 10.854 ± 0.003 Å
• c: 11.479 ± 0.003 Å
• α: 94.95 ± 0.004°
• β: 111.217 ± 0.007°
• γ: 106.268 ± 0.01°
• Cell volume: 1126.5 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No