Information card for entry 7102401

Structure parameters

• Common name: sulfonamide10
• Formula: C24 H22 Br N O2 S
• Calculated formula: C24 H22 Br N O2 S
• SMILES: Brc1ccc(S(=O)(=O)N([C@@H](C=C)/C=C/c2ccccc2)Cc2ccccc2)cc1
• Title of publication: Regio- and enantioselective iridium-catalysed allylic aminations and alkylations of dienyl esters.
• Authors of publication: Lipowsky, Gunter; Helmchen, Günter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 116 - 117
• a: 11.6234 ± 0.0017 Å
• b: 5.8505 ± 0.0009 Å
• c: 16.29 ± 0.002 Å
• α: 90°
• β: 109.624 ± 0.003°
• γ: 90°
• Cell volume: 1043.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No