Information card for entry 1553517

Structure parameters

• Formula: C29 H26 N2 O5 S
• Calculated formula: C29 H26 N2 O5 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)n1c2c(c3c1cccc3)[C@@]1([C@H](CC2)C(=O)OCC)C(=O)Nc2ccccc12.c1(ccc(cc1)C)S(=O)(=O)n1c2c(c3c1cccc3)[C@]1([C@@H](CC2)C(=O)OCC)C(=O)Nc2ccccc12
• Title of publication: Silver(i)-catalysed domino alkyne-annulation/Diels–Alder reaction: a mild synthetic approach to tetrahydrospiro[carbazole-4,3′-indoline] scaffolds
• Authors of publication: Sharma, Pankaj; Kumar, Niggula Praveen; Krishna, Namballa Hari; Prasanna, Daasi; Sridhar, Balasubramanian; Shankaraiah, Nagula
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 1503
• a: 8.3151 ± 0.0007 Å
• b: 8.625 ± 0.0007 Å
• c: 18.7838 ± 0.0016 Å
• α: 99.74 ± 0.001°
• β: 96.686 ± 0.001°
• γ: 104.017 ± 0.001°
• Cell volume: 1270.61 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1503
• 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