Information card for entry 1507250

Structure parameters

• Formula: C17 H17 N O5
• Calculated formula: C17 H17 N O5
• SMILES: Oc1ccccc1c1noc2c1C(=O)[C@@H]([C@H](C2)C)C(=O)OCC.Oc1ccccc1c1noc2c1C(=O)[C@H]([C@@H](C2)C)C(=O)OCC
• Title of publication: Facile construction and divergent transformation of polycyclic isoxazoles: direct access to polyketide architectures.
• Authors of publication: Bode, Jeffrey W.; Hachisu, Yoshifumi; Matsuura, Tomoo; Suzuki, Keisuke
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 391 - 394
• a: 11.7495 ± 0.0016 Å
• b: 15.552 ± 0.003 Å
• c: 8.5599 ± 0.0011 Å
• α: 90°
• β: 104.998 ± 0.006°
• γ: 90°
• Cell volume: 1510.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No