Information card for entry 7239265

Structure parameters

• Formula: C28 H28 Br N3 O3 S
• Calculated formula: C28 H28 Br N3 O3 S
• Title of publication: In(OTf)3-catalyzed chemoselective alkylation of tryptamines with 2-oxo-1-pyrrolidine derivatives
• Authors of publication: Zi, You; Chu, Xue-Qiang; Lu, Xin-Mou; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 4609
• a: 11.1078 ± 0.0018 Å
• b: 20.351 ± 0.003 Å
• c: 12.354 ± 0.002 Å
• α: 90°
• β: 110.522 ± 0.004°
• γ: 90°
• Cell volume: 2615.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No