Information card for entry 1548720

Structure parameters

• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• SMILES: o1c(nc2ccccc12)/C=C(OC(=O)c1cccc(c1)C)/c1cc(ccc1)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: 8.2713 ± 0.0003 Å
• b: 11.0619 ± 0.0004 Å
• c: 11.1918 ± 0.0004 Å
• α: 108.347 ± 0.003°
• β: 104.143 ± 0.003°
• γ: 93.746 ± 0.003°
• Cell volume: 931.17 ± 0.06 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: 0.0428
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No