Information card for entry 7116305

Structure parameters

• Common name: a140723mor1
• Formula: C27 H30 N3 O5 S2
• Calculated formula: C27 H30 N3 O5 S2
• Title of publication: Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.
• Authors of publication: Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2273 - 2276
• a: 9.5145 ± 0.0009 Å
• b: 11.3505 ± 0.001 Å
• c: 12.4229 ± 0.0011 Å
• α: 79.1933 ± 0.001°
• β: 86.0059 ± 0.0012°
• γ: 82.605 ± 0.0012°
• Cell volume: 1305.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No