Information card for entry 7238813

Structure parameters

• Formula: C23 H23 Br N2 O7
• Calculated formula: C23 H23 Br N2 O7
• Title of publication: Catalyst-free, one-pot three-component 1,3-dipolar cycloaddition of diethyl 2-aminomalonate, benzaldehydes and 3-nitro-2H-chromenes
• Authors of publication: Jia, Yang; Du, Da-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1970
• a: 7.133 ± 0.002 Å
• b: 9.113 ± 0.003 Å
• c: 17.801 ± 0.006 Å
• α: 89.141 ± 0.01°
• β: 79.247 ± 0.008°
• γ: 84.05 ± 0.008°
• Cell volume: 1130.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No