Information card for entry 7157094

Structure parameters

• Formula: C24 H29 N O6
• Calculated formula: C24 H29 N O6
• Title of publication: Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.
• Authors of publication: Kurian, Jais; M, Muraleedharan Kannoth
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 39
• Pages of publication: 8832 - 8848
• a: 9.932 ± 0.0003 Å
• b: 12.9438 ± 0.0004 Å
• c: 18.2127 ± 0.0004 Å
• α: 90°
• β: 92.2716 ± 0.0014°
• γ: 90°
• Cell volume: 2339.55 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1384
• 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