Information card for entry 7057011

Structure parameters

• Formula: C22 H22 Cl2 N4 O4
• Calculated formula: C22 H22 Cl2 N4 O4
• Title of publication: Regioselective addition of DDQ on a quinoid ring: an entry into chiral zwitterionic bridging ligands
• Authors of publication: Canard, Gabriel; Chen, Zhongrui; Suryaningtias, Aprilliyani; Jean, Marion; Vanthuyne, Nicolas; Giorgi, Michel; Roussel, Christian; Siri, Olivier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8247
• a: 13.4139 ± 0.0016 Å
• b: 19.1246 ± 0.0019 Å
• c: 9.4516 ± 0.0009 Å
• α: 90°
• β: 103.255 ± 0.01°
• γ: 90°
• Cell volume: 2360.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1383
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No