Information card for entry 1519118

Structure parameters

• Formula: C15 H18 Cl2 N O4
• Calculated formula: C15 H18 Cl2 N O4
• SMILES: ClC1=C(Cl)C(NOC1(C)C)c1c(OC)cc(OC)cc1OC
• Title of publication: C15H18Cl2NO4
• Authors of publication: Baird, Mark S.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1992
• Pages of publication: 1182
• a: 7.351 ± 0.004 Å
• b: 13.523 ± 0.003 Å
• c: 17.741 ± 0.004 Å
• α: 68.88 ± 0.02°
• β: 79.671 ± 0.011°
• γ: 82.341 ± 0.018°
• Cell volume: 1613.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2029
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.393
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No