Information card for entry 7115348

Structure parameters

• Formula: C30 H25 N O5
• Calculated formula: C30 H25 N O5
• SMILES: O1C2=C(C(=O)C(=O)c3c2cccc3)C(Nc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)C1(C)C
• Title of publication: Naphthoquinone-based chalcone hybrids and derivatives: synthesis and potent activity against cancer cell lines
• Authors of publication: Jardim, Guilherme A. M.; Guimarães, Tiago T.; Pinto, Maria do Carmo F. R.; Cavalcanti, Bruno C.; de Farias, Kaio M.; Pessoa, Claudia; Gatto, Claudia C.; Nair, Divya K.; Namboothiri, Irishi N. N.; da Silva Júnior, Eufrânio N.
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 120
• a: 37.446 ± 0.002 Å
• b: 10.0704 ± 0.0007 Å
• c: 13.1981 ± 0.001 Å
• α: 90°
• β: 101.015 ± 0.006°
• γ: 90°
• Cell volume: 4885.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.194
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No