Information card for entry 4033294

Structure parameters

• Formula: C20 H19 N O5
• Calculated formula: C19 H19 N O5
• SMILES: O1C(=O)c2c(c(OC)c3[nH]c4c(c3c2)cccc4)[C@@H]1[C@H](O)C(O)(C)C.O=C1O[C@@H](c2c1cc1c([nH]c3c1cccc3)c2OC)[C@@H](O)C(O)(C)C
• Title of publication: Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.
• Authors of publication: Markad, Shivaji B.; Argade, Narshinha P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 8.026 ± 0.002 Å
• b: 15.032 ± 0.004 Å
• c: 15.483 ± 0.004 Å
• α: 118.732 ± 0.006°
• β: 95.617 ± 0.007°
• γ: 91.557 ± 0.006°
• Cell volume: 1624.2 ± 0.7 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: 0.129
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.3309
• Weighted residual factors for all reflections included in the refinement: 0.3411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No