Information card for entry 4024572

Structure parameters

• Formula: C31 H36 N2 O11
• Calculated formula: C31 H36 N2 O11
• SMILES: c1(c(c(cc(CO)c1c1c(C(OC(=O)c2ccc(N(=O)=O)cc2)C)cc(NC(=O)OC(C)(C)C)c(OC)c1)OC)OC)OC
• Title of publication: Synthetic Approaches to Amino Analogues of N-Acetylcolchinol
• Authors of publication: Virginie Colombel; Olivier Baudoin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4329 - 4335
• a: 9.813 ± 0.0011 Å
• b: 12.0815 ± 0.0013 Å
• c: 13.4125 ± 0.0014 Å
• α: 91.168 ± 0.009°
• β: 105.274 ± 0.009°
• γ: 90.545 ± 0.009°
• Cell volume: 1533.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8889
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No