Information card for entry 7109529

Structure parameters

• Formula: C21 H18 N2 O2 S2
• Calculated formula: C21 H18 N2 O2 S2
• SMILES: c12ccccc1c1CCC(c1[nH]2)c1ccccc1NS(=O)(=O)c1cccs1
• Title of publication: Pd-mediated construction of a cyclopentane ring fused with indoles
• Authors of publication: Bagineni Prasad; B. Yogi Sreenivas; G. Rama Krishna; Ravikumar Kapavarapu; Manojit Pal
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6716
• a: 8.814 ± 0.005 Å
• b: 10.078 ± 0.006 Å
• c: 10.987 ± 0.006 Å
• α: 95.156 ± 0.006°
• β: 100.052 ± 0.008°
• γ: 96.941 ± 0.007°
• Cell volume: 947.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.149
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No