Information card for entry 7062277

Structure parameters

• Formula: C36 H33 Cl3 N4 O3
• Calculated formula: C36 H33 Cl3 N4 O3
• Title of publication: Selective construction of polycyclic cyclohepta[b]indoles and cyclopenta[b]indoles via cycloaddition reaction of 3-(indol-3-yl)maleimides and (indol-2-yl)methanols
• Authors of publication: Sun, Jing; Yan, Chen; Sun, Qiu; Han, Ying; Yan, Chao-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6694 - 6699
• a: 17.2 ± 0.004 Å
• b: 9.5522 ± 0.0019 Å
• c: 22.075 ± 0.005 Å
• α: 90°
• β: 110.167 ± 0.007°
• γ: 90°
• Cell volume: 3404.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1592
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.3019
• Weighted residual factors for all reflections included in the refinement: 0.3344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No