Information card for entry 7125665

Structure parameters

• Formula: C33 H25 N3 O4 S
• Calculated formula: C33 H25 N3 O4 S
• Title of publication: A rhodium(ii) catalysed domino synthesis of azepino fused diindoles from isatin tethered N-sulfonyl-1,2,3-triazoles and indoles.
• Authors of publication: Kahar, Nilesh; Jadhav, Pankaj; Reddy, R. V. Ramana; Dawande, Sudam
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1207 - 1210
• a: 9.24 ± 0.0018 Å
• b: 12.733 ± 0.003 Å
• c: 22.312 ± 0.005 Å
• α: 90°
• β: 96.38 ± 0.007°
• γ: 90°
• Cell volume: 2608.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No