Information card for entry 7235891

Structure parameters

• Formula: C31 H29 N O5
• Calculated formula: C31 H29 N O5
• Title of publication: Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes
• Authors of publication: Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 26491
• a: 5.8328 ± 0.0006 Å
• b: 11.8968 ± 0.0014 Å
• c: 19.757 ± 0.002 Å
• α: 78.469 ± 0.004°
• β: 88.02 ± 0.004°
• γ: 82.246 ± 0.004°
• Cell volume: 1331 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No