Information card for entry 7133124

Structure parameters

• Formula: C46 H48 Br2 N2 O6 S4
• Calculated formula: C46 H48 Br2 N2 O6 S4
• Title of publication: Site-selective synthesis of indanyl-substituted indole derivatives <i>via</i> 1,3-dithiane induced Nazarov cyclization.
• Authors of publication: Li, Jia; Li, Liang; Mao, Mingming; Li, Rui-Peng; Huo, Xing; Tang, Shouchu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 51
• Pages of publication: 6540 - 6543
• a: 13.3806 ± 0.0002 Å
• b: 13.864 ± 0.0002 Å
• c: 15.8118 ± 0.0002 Å
• α: 114.886 ± 0.001°
• β: 90.41 ± 0.001°
• γ: 117.953 ± 0.001°
• Cell volume: 2272.67 ± 0.07 ų
• Cell temperature: 302.74 ± 0.1 K
• Ambient diffraction temperature: 302.74 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No