Information card for entry 4033290

Structure parameters

• Formula: C88 H134 N12 O25
• Calculated formula: C88 H134 N12 O25
• 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: 36.124 ± 0.012 Å
• b: 9.409 ± 0.003 Å
• c: 14.68 ± 0.004 Å
• α: 90°
• β: 93.39 ± 0.008°
• γ: 90°
• Cell volume: 4981 ± 3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2605
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No