Information card for entry 1508606

Structure parameters

• Common name: Acortatarin B
• Formula: C18 H21 N O6
• Calculated formula: C18 H21 N O6
• SMILES: O1[C@@]2(OCc3n(c(C=O)cc3)C2)[C@@H](O)[C@H](O)[C@H]1CO.c1ccccc1
• Title of publication: Stereoselective synthesis of acortatarins A and B.
• Authors of publication: Wurst, Jacqueline M.; Verano, Alyssa L.; Tan, Derek S.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4442 - 4445
• a: 7.0392 ± 0.0002 Å
• b: 12.0912 ± 0.0003 Å
• c: 19.0161 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.51 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No