Information card for entry 4034240

Structure parameters

• Formula: C35 H33 N O2 S
• Calculated formula: C35 H33 N O2 S
• SMILES: c12ccccc1c1C(=C(C(c1n2S(=O)(=O)c1ccc(cc1)C)C)c1ccccc1)c1ccc(cc1)C(C)(C)C
• Title of publication: Unusual Formation of Cyclopenta[ b]indoles from 3-Indolylmethanols and Alkynes.
• Authors of publication: Gandhi, Soniya; Baire, Beeraiah
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 3904 - 3918
• a: 10.1216 ± 0.0009 Å
• b: 10.5451 ± 0.001 Å
• c: 14.942 ± 0.0014 Å
• α: 79.326 ± 0.004°
• β: 83.739 ± 0.004°
• γ: 70.701 ± 0.004°
• Cell volume: 1477.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No