Information card for entry 1558565

Structure parameters

• Chemical name: (2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone
• Formula: C22 H15 N3 O2
• Calculated formula: C22 H15 N3 O2
• SMILES: O=C(c1nc(cc(c1)c1ccncc1)c1ccncc1)c1ccccc1O
• Title of publication: (2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone
• Authors of publication: Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: x200857
• a: 7.2994 ± 0.0002 Å
• b: 9.6105 ± 0.0003 Å
• c: 23.9296 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1678.68 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes