Information card for entry 1543599

Structure parameters

• Formula: C28 H20 Br Cl N2 O4 S2
• Calculated formula: C28 H20 Br Cl N2 O4 S2
• Title of publication: Cu(OAc)2-Mediated Cascade Annulation of Diarylalkyne Sulfonamides through Dual C-N Bond Formation: Synthesis of 5,10-Dihydroindolo[3,2-b]indoles.
• Authors of publication: Yu, Junchao; Zhang-Negrerie, Daisy; Du, Yunfei
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3322 - 3325
• a: 5.4375 ± 0.0008 Å
• b: 10.0119 ± 0.0015 Å
• c: 22.541 ± 0.003 Å
• α: 90°
• β: 94.174 ± 0.003°
• γ: 90°
• Cell volume: 1223.9 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No