Information card for entry 7223402

Structure parameters

• Formula: C24 H24 O5
• Calculated formula: C24 H24 O5
• SMILES: c1(c(cc2c(c1)OC1(CC2=O)CCCCC1)C(=O)/C=C/c1cccc(c1)OC)O
• Title of publication: Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies
• Authors of publication: Muthukrishnan, M.; Mujahid, Mohammad; Yogeeswari, Perumal; Dharmarajan, Sriram; Basavanag, Murali; Díaz-Cervantes, Erik; Bahena, Luis; Robles, Juvencio; Gonnade, Rajesh G.; M, Karthikeyan; Vyas, Renu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.9447 ± 0.001 Å
• b: 19.588 ± 0.002 Å
• c: 12.7483 ± 0.0014 Å
• α: 90°
• β: 97.927 ± 0.005°
• γ: 90°
• Cell volume: 1964.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No