Information card for entry 4027110

Structure parameters

• Formula: C22 H23 N O6
• Calculated formula: C22 H23 N O6
• SMILES: O1[C@@]23[C@@](OC(=O)c4ccc(N(=O)=O)cc4)([C@H]4C[C@@H](C1=O)[C@@]2(C4)[C@@H](CCC=C3)C)C.O1[C@]23[C@](OC(=O)c4ccc(N(=O)=O)cc4)([C@@H]4C[C@H](C1=O)[C@]2(C4)[C@H](CCC=C3)C)C
• Title of publication: Synthesizing the Tetracyclic Core of Nanolobatolide
• Authors of publication: Le Chang; Hao Jiang; Junkai Fu; Bin Liu; Chuang-chuang Li; Zhen Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3609 - 3614
• a: 6.503 ± 0.0013 Å
• b: 12.1809 ± 0.0011 Å
• c: 13.9183 ± 0.0019 Å
• α: 66.72 ± 0.03°
• β: 82.58 ± 0.04°
• γ: 76.52 ± 0.04°
• Cell volume: 984 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.3585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No