Information card for entry 7238719

Structure parameters

• Formula: C15 H17 Cl N2 O3
• Calculated formula: C15 H17 Cl N2 O3
• Title of publication: Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement
• Authors of publication: Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 8949
• a: 11.3854 ± 0.0012 Å
• b: 12.1629 ± 0.0013 Å
• c: 12.6647 ± 0.0013 Å
• α: 97.717 ± 0.002°
• β: 95.368 ± 0.002°
• γ: 111.818 ± 0.002°
• Cell volume: 1593.7 ± 0.3 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: 0.077
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No