Information card for entry 7062401

Structure parameters

• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: O1c2c(C(C(=C1N)C#N)c1cc(O)ccc1)ccc1c2cccc1
• Title of publication: Anticancer SAR establishment and α/β-tubulin isoform specific targeting: a detailed insight of the anticancer potential of 4H-chromene derivatives
• Authors of publication: Mayank,; Singh, Ashutosh; Saumya, Kumar Udit; Joshi, Mayank; Kaur, Navneet; Garg, Neha; Singh, Narinder
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 8589 - 8601
• a: 13.4145 ± 0.0005 Å
• b: 10.6112 ± 0.0004 Å
• c: 11.6042 ± 0.0003 Å
• α: 90°
• β: 109.399 ± 0.001°
• γ: 90°
• Cell volume: 1558.01 ± 0.09 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 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: 0.0767
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No