Information card for entry 7061480

Structure parameters

• Formula: C22 H19 N3 O5
• Calculated formula: C22 H19 N3 O5
• SMILES: O=c1[nH]c(c(cc1C#N)c1ccncc1)C.O=C(O)/C=C/c1cc(OC)c(O)cc1
• Title of publication: Drug-nutrient cocrystallization-driven strategy towards self-assembly of milrinone and ferulic acid provides an exemplification in perfecting in vitro/vivo characteristics of anti-heart failure drugs
• Authors of publication: Liu, Lu; Yu, Yue-Ming; Yu, Yu; Bu, Fan-Zhi; Wu, Zhi-Yong; Yan, Cui-Wei; Li, Yan-Tuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 10357 - 10367
• a: 16.9431 ± 0.0016 Å
• b: 7.3296 ± 0.0007 Å
• c: 16.3123 ± 0.0015 Å
• α: 90°
• β: 107.232 ± 0.003°
• γ: 90°
• Cell volume: 1934.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0855
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No