Information card for entry 7160008

Structure parameters

• Formula: C21 H13 Cl2 N O2
• Calculated formula: C21 H13 Cl2 N O2
• Title of publication: Enal-azomethine ylides: application in the synthesis of functionalized pyrroles.
• Authors of publication: Mandal, Pratap Kumar; Patel, Sandeep; Katukojvala, Sreenivas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 28
• Pages of publication: 5734 - 5738
• a: 10.445 ± 0.003 Å
• b: 19.168 ± 0.006 Å
• c: 9.55 ± 0.003 Å
• α: 90°
• β: 111.776 ± 0.009°
• γ: 90°
• Cell volume: 1775.6 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.0885
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No