Information card for entry 4034031

Structure parameters

• Formula: C18 H22 N2 O8
• Calculated formula: C18 H22 N2 O8
• SMILES: [C@@H]1([C@@H](C[C@H]1C(=O)OC)OC(=O)c1ccc(cc1)N(=O)=O)NC(=O)OC(C)(C)C
• Title of publication: Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.
• Authors of publication: Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 16
• Pages of publication: 10518 - 10525
• a: 5.3084 ± 0.0003 Å
• b: 14.0286 ± 0.0008 Å
• c: 25.1623 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1873.82 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No