Information card for entry 7219227

Structure parameters

• Formula: C23 H21 N O4
• Calculated formula: C23 H21 N O4
• SMILES: O=C1CC(C)(CC2=C1[C@@]1(O)[C@@](O)(N2c2ccccc2)c2c(cccc2)C1=O)C
• Title of publication: Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot
• Authors of publication: Das, Asish R.; Pradhan, Koyel; Paul, Sanjay
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.6419 ± 0.0019 Å
• b: 16.053 ± 0.003 Å
• c: 10.709 ± 0.002 Å
• α: 90°
• β: 90.097 ± 0.008°
• γ: 90°
• Cell volume: 1829.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No