Information card for entry 7235892

Structure parameters

• Formula: C30 H26 Cl N O5
• Calculated formula: C30 H26 Cl 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: 19.841 ± 0.005 Å
• b: 14.847 ± 0.004 Å
• c: 8.918 ± 0.002 Å
• α: 90°
• β: 90.596 ± 0.006°
• γ: 90°
• Cell volume: 2626.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2109
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No