Information card for entry 1512338

Structure parameters

• Common name: DM02-46
• Chemical name: sarpong35
• Formula: C26 H32 N2 O5
• Calculated formula: C26 H32 N2 O5
• SMILES: C1(=O)CCC[C@H]2C[C@]34C([C@@]5(C[C@@]3(CN12)O4)C(=O)N(c1ccccc51)C(=O)OC(C)(C)C)(C)C.C1(=O)CCC[C@@H]2C[C@@]34C([C@]5(C[C@]3(CN12)O4)C(=O)N(c1ccccc51)C(=O)OC(C)(C)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: 15.0275 ± 0.0006 Å
• b: 6.8288 ± 0.0003 Å
• c: 22.94 ± 0.0009 Å
• α: 90°
• β: 90.555 ± 0.002°
• γ: 90°
• Cell volume: 2353.99 ± 0.17 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: 0.0354
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No