Information card for entry 4034030

Structure parameters

• Formula: C60 H74 N6 O27
• Calculated formula: C60 H74 N6 O27
• 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: 13.6074 ± 0.0006 Å
• b: 15.3263 ± 0.0006 Å
• c: 32.0745 ± 0.0013 Å
• α: 90°
• β: 92.113 ± 0.002°
• γ: 90°
• Cell volume: 6684.6 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No