Information card for entry 7154237

Structure parameters

• Formula: C18 H16 N2 O8
• Calculated formula: C18 H16 N2 O8
• SMILES: O=N(=O)c1cc(C(=O)O[C@H](C=C)[C@@]23C[C@H]4[C@@H]2[C@@H](OC3=O)CC4)cc(N(=O)=O)c1
• Title of publication: Studies towards the synthesis of bielschowskysin. Construction of the highly functionalized bicyclo[3.2.0]heptane segment.
• Authors of publication: Jana, Anupam; Mondal, Sujit; Ghosh, Subrata
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1846 - 1859
• a: 5.83 ± 0.003 Å
• b: 9.556 ± 0.004 Å
• c: 31.119 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1733.7 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1106
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No