Information card for entry 7152139

Structure parameters

• Common name: sarpong18
• Chemical name: sarpong18
• Formula: C16 H15 N O4
• Calculated formula: C16 H15 N O4
• SMILES: C1=CC(=O)[C@@]2([C@@H]3[C@H]4C(=O)OC(=O)[C@H]4[C@@H](C=C3)N12)CCC=C.C1=CC(=O)[C@]2([C@H]3[C@@H]4C(=O)OC(=O)[C@@H]4[C@H](C=C3)N12)CCC=C
• Title of publication: Indolizinones as synthetic scaffolds: fundamental reactivity and the relay of stereochemical information.
• Authors of publication: Hardin Narayan, Alison R.; Sarpong, Richmond
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 70 - 78
• a: 22.2396 ± 0.0013 Å
• b: 12.8939 ± 0.0007 Å
• c: 10.309 ± 0.0006 Å
• α: 90°
• β: 110.568 ± 0.003°
• γ: 90°
• Cell volume: 2767.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No