Information card for entry 1554392

Structure parameters

• Formula: C30 H21 Cl N2 O2
• Calculated formula: C30 H21 Cl N2 O2
• SMILES: Clc1c(C2N=C(N(C32C(=O)c2c(C3=O)cccc2)Cc2ccccc2)c2ccccc2)cccc1
• Title of publication: Solvent-free N-iodosuccinimide-promoted synthesis of spiroimidazolines from alkenes and amidines under ball-milling conditions
• Authors of publication: Xu, Hui; Chen, Kuan; Liu, Hong-Wei; Wang, Guan-Wu
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 19
• Pages of publication: 2864
• a: 8.5511 ± 0.0003 Å
• b: 10.4286 ± 0.0003 Å
• c: 14.3935 ± 0.0004 Å
• α: 88.875 ± 0.002°
• β: 87.601 ± 0.002°
• γ: 68.209 ± 0.003°
• Cell volume: 1190.78 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No