Information card for entry 7157352

Structure parameters

• Formula: C17 H10 Cl N O3
• Calculated formula: C17 H10 Cl N O3
• Title of publication: Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(i)-mediated domino annulations.
• Authors of publication: Upare, Atul; Chouhan, Neeraj Kumar; Ramaraju, Andhavaram; Sridhar, Balasubramanian; Bathula, Surendar Reddy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1743 - 1746
• a: 16.2453 ± 0.0004 Å
• b: 8.9674 ± 0.0002 Å
• c: 9.7074 ± 0.0002 Å
• α: 90°
• β: 93.2014 ± 0.001°
• γ: 90°
• Cell volume: 1411.95 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1071
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No