Information card for entry 7225910

Structure parameters

• Chemical name: 1,2-dihydro-1-(4-hydroxy-3-methoxyphenyl)benzo[f]chromen-3-one
• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• SMILES: c1cc2ccccc2c2[C@H](CC(=O)Oc12)c1ccc(c(c1)OC)O
• Title of publication: Design, synthesis and in-vitro anti-leukemic evaluation of ferulic acid analogues as BCR-Abl inhibitors
• Authors of publication: R, Narendran; Subramaniam, Shankar; Raja, MR Charan; Venkatasubba Rao, Himesh Makala; R, Subhashree; Ulaganathan, Venkatasubramanian; Pemiah, Brindha; Kar Mahapatra, Santanu; Sivasubramanian, Aravind
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.4475 ± 0.0015 Å
• b: 15.152 ± 0.004 Å
• c: 16.598 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1621.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No