Information card for entry 7157042

Structure parameters

• Chemical name: RSR-4e
• Formula: C12 H6 Cl2 N2 O2
• Calculated formula: C12 H6 Cl2 N2 O2
• Title of publication: A route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones.
• Authors of publication: Sreenivasa Rao, Ramana; Shajan, Femil Joseph; Reddy, D. Srinivasa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 36
• Pages of publication: 8384 - 8390
• a: 10.4975 ± 0.0002 Å
• b: 14.8593 ± 0.0004 Å
• c: 7.2597 ± 0.0002 Å
• α: 90°
• β: 101.37 ± 0.001°
• γ: 90°
• Cell volume: 1110.18 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0544
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No