Information card for entry 8104847

Structure parameters

• Formula: C22 H15 N3 O2
• Calculated formula: C22 H15 N3 O2
• Title of publication: The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
• Authors of publication: Li, Jin; Zuo, Zhenyu; Chen, Yan; Liu, Yali; Yin, Dachuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 413 - 415
• a: 5.7613 ± 0.0004 Å
• b: 12.3545 ± 0.0007 Å
• c: 13.3427 ± 0.0008 Å
• α: 110.002 ± 0.002°
• β: 98.837 ± 0.002°
• γ: 94.263 ± 0.002°
• Cell volume: 873.56 ± 0.1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No