Information card for entry 7157085

Structure parameters

• Formula: C25 H26 Cl2 N2 O2
• Calculated formula: C25 H26 Cl2 N2 O2
• Title of publication: Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.
• Authors of publication: Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 39
• Pages of publication: 8858 - 8870
• a: 16.0878 ± 0.0015 Å
• b: 7.3312 ± 0.0008 Å
• c: 19.996 ± 0.002 Å
• α: 90°
• β: 101.831 ± 0.005°
• γ: 90°
• Cell volume: 2308.3 ± 0.4 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: 0.0687
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No