Information card for entry 7155852

Structure parameters

• Chemical name: 3-methyl-2-oxo-5-((E)-(2-oxo-4,8b-dihydro-2H-indeno[1,2-b]furan-3(3aH)-ylidene) methoxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
• Formula: C22 H23 N O6
• Calculated formula: C22 H23 N O6
• SMILES: O1C(=O)/C(=C/O[C@H]2N(C(=O)C(=C2)C)C(=O)OC(C)(C)C)[C@H]2[C@@H]1c1c(C2)cccc1
• Title of publication: Recent Advances in the Synthesis of Analogues of Phytohormones Strigolactones with Ring-Closing Metathesis as a Key Step
• Authors of publication: Prandi, Cristina; Lombardi, Chiara; Artuso, Emma; LOLLI, Marco Lucio Lucio; Grandi, Eleonora; Priola, Emanuele; Spyrakis, Francesca
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.0736 ± 0.0013 Å
• b: 10.7768 ± 0.0012 Å
• c: 21.461 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2098.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.108
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No