Information card for entry 4036440

Structure parameters

• Formula: C28 H22 Cl2 N2 O6
• Calculated formula: C28 H22 Cl2 N2 O6
• Title of publication: Approach to Monobactams and Nocardicins via Diastereoselective Kinugasa Reaction.
• Authors of publication: Kabala, Kamil; Grzeszczyk, Barbara; Stecko, Sebastian; Furman, Bartłomiej; Chmielewski, Marek
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 24
• Pages of publication: 12038 - 12046
• a: 13.6204 ± 0.0003 Å
• b: 5.6215 ± 0.0001 Å
• c: 17.7068 ± 0.0004 Å
• α: 90°
• β: 112.213 ± 0.001°
• γ: 90°
• Cell volume: 1255.14 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No