Information card for entry 4033289

Structure parameters

• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: O([C@@H]1[C@H]2[C@H](C(=O)NC2=O)C1)C(C)(C)C.O([C@H]1[C@@H]2[C@@H](C(=O)NC2=O)C1)C(C)(C)C
• Title of publication: A Photochemical Route to 3- and 4-Hydroxy Derivatives of 2-Aminocyclobutane-1-carboxylic Acid with an all-cis Geometry.
• Authors of publication: Chang, Zong; Boyaud, France; Guillot, Régis; Boddaert, Thomas; Aitken, David J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 9.1273 ± 0.0004 Å
• b: 9.0984 ± 0.0003 Å
• c: 13.1203 ± 0.0005 Å
• α: 90°
• β: 109.613 ± 0.002°
• γ: 90°
• Cell volume: 1026.35 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No