Information card for entry 4517968

Structure parameters

• Formula: C27 H23 Cl2 N3 O2
• Calculated formula: C27 H23 Cl2 N3 O2
• Title of publication: Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy
• Authors of publication: Lai, Xiangfeng; Che, Chao
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 21968 - 21977
• a: 11.1225 ± 0.0001 Å
• b: 15.3457 ± 0.0002 Å
• c: 28.5934 ± 0.0003 Å
• α: 90°
• β: 97.894 ± 0.001°
• γ: 90°
• Cell volume: 4834.15 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No