Information card for entry 1547068

Structure parameters

• Formula: C26 H25 N O9
• Calculated formula: C26 H25 N O9
• SMILES: OC(N[C@@H](c1cccc2ccccc12)C)=C1C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.
• Authors of publication: Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 4227 - 4230
• a: 9.04 ± 0.004 Å
• b: 6.791 ± 0.003 Å
• c: 19.479 ± 0.008 Å
• α: 90°
• β: 95.016 ± 0.006°
• γ: 90°
• Cell volume: 1191.2 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No