Information card for entry 7125666

Structure parameters

• Formula: C29 H23 N3 O4 S
• Calculated formula: C29 H23 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: 10.8543 ± 0.0011 Å
• b: 11.773 ± 0.0011 Å
• c: 11.9282 ± 0.001 Å
• α: 106.799 ± 0.004°
• β: 100.94 ± 0.004°
• γ: 116.237 ± 0.004°
• Cell volume: 1216.1 ± 0.2 ų
• Cell temperature: 282 ± 2 K
• Ambient diffraction temperature: 282 ± 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: 0.1673
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1617
• 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