Information card for entry 4028193

Structure parameters

• Formula: C27 H19 Cl N2 O6
• Calculated formula: C27 H19 Cl N2 O6
• Title of publication: Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2
• Authors of publication: Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4329 - 4340
• a: 10.0187 ± 0.0015 Å
• b: 11.4254 ± 0.0016 Å
• c: 13.785 ± 0.003 Å
• α: 105.439 ± 0.004°
• β: 93.916 ± 0.004°
• γ: 115.678 ± 0.003°
• Cell volume: 1339.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1081
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2906
• Weighted residual factors for all reflections included in the refinement: 0.3259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No