Information card for entry 1548719

Structure parameters

• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• SMILES: o1c(nc2ccccc12)/C=C(\OC(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles
• Authors of publication: Agnieszka Skotnicka; Erkki Kolehmainen; Przemyslaw Czelen; Arto Valkonen; Ryszard Gawinecki
• Journal of publication: International Journal of Molecular Sciences
• Year of publication: 2013
• Journal volume: 14
• Pages of publication: 4444 - 4460
• a: 9.0668 ± 0.0004 Å
• b: 10.6056 ± 0.0005 Å
• c: 10.7678 ± 0.0005 Å
• α: 71.159 ± 0.004°
• β: 77.492 ± 0.004°
• γ: 82.891 ± 0.004°
• Cell volume: 955.06 ± 0.08 ų
• Ambient diffraction temperature: 123 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: 0.0486
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No