Information card for entry 1512336

Structure parameters

• Common name: DM02-187
• Chemical name: sarpong42
• Formula: C26 H34 N2 O6
• Calculated formula: C26 H34 N2 O6
• SMILES: [C@@]12(C([C@@]3(C[C@@H]4CCCC(=O)N4[C@@]3(C1)CO)O)(C)C)c1ccccc1N(C2=O)C(=O)OC(C)(C)C.[C@]12(C([C@]3(C[C@H]4CCCC(=O)N4[C@]3(C1)CO)O)(C)C)c1ccccc1N(C2=O)C(=O)OC(C)(C)C
• Title of publication: Synthetic Studies toward the Citrinadin A and B Core Architecture.
• Authors of publication: Mundal, Devon A.; Sarpong, Richmond
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 4952 - 4955
• a: 9.8028 ± 0.0005 Å
• b: 17.9436 ± 0.0009 Å
• c: 14.8057 ± 0.0007 Å
• α: 90°
• β: 108.059 ± 0.002°
• γ: 90°
• Cell volume: 2476 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0342
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No