Information card for entry 7157013

Structure parameters

• Formula: C23 H20 Br N O2
• Calculated formula: C23 H20 Br N O2
• Title of publication: Organocatalytic asymmetric spirocyclization reactions of cyclic 2,4-dienones with cyanoketones: synthesis of spiro-dihydropyrano cyclohexanones.
• Authors of publication: Mondal, Buddhadeb; Balha, Megha; Pan, Subhas Chandra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 7849 - 7853
• a: 13.351 ± 0.004 Å
• b: 25.715 ± 0.007 Å
• c: 5.749 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1973.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1851
• Residual factor for significantly intense reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No