Information card for entry 7246990

Structure parameters

• Formula: C24 H22 N O5
• Calculated formula: C24 H22 N O5
• SMILES: OCc1n(c2ccc(OC)cc2)c2c(C(=O)c3c2cccc3)c1C(=O)OC(C)(C)C
• Title of publication: POCl₃ mediated one-pot deoxygenative aromatization and electrophilic chlorination of dihydroxy-2-methyl-4-oxo-indeno[1,2-<i>b</i>]pyrroles.
• Authors of publication: Nasuhipur, Forough; Ghasemi, Zarrin; Poupon, Morgane; Dušek, Michal
• Journal of publication: RSC advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 17812 - 17816
• a: 8.8388 ± 0.0003 Å
• b: 21.2913 ± 0.0005 Å
• c: 10.8389 ± 0.0004 Å
• α: 90°
• β: 91.297 ± 0.003°
• γ: 90°
• Cell volume: 2039.25 ± 0.11 ų
• Cell temperature: 95 ± 0.4 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for significantly intense reflections: 4.3015
• Goodness-of-fit parameter for all reflections included in the refinement: 3.776
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No