Information card for entry 1512337

Structure parameters

• Common name: DM02-176B
• Chemical name: sarpong40
• Formula: C26 H34 N2 O5
• Calculated formula: C26 H34 N2 O5
• SMILES: c12C([C@@]3(C[C@@H]4CCCC(=O)N4[C@@]3(Cc1c1ccccc1n2C(=O)OC(C)(C)C)CO)O)(C)C.c12C([C@]3(C[C@H]4CCCC(=O)N4[C@]3(Cc1c1ccccc1n2C(=O)OC(C)(C)C)CO)O)(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: 10.8816 ± 0.0007 Å
• b: 12.2655 ± 0.0008 Å
• c: 18.867 ± 0.0012 Å
• α: 94.346 ± 0.003°
• β: 106.589 ± 0.002°
• γ: 102.455 ± 0.003°
• Cell volume: 2331 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No