Information card for entry 2015895

Structure parameters

• Chemical name: 2-Methoxy-4-[(5-oxo-2-phenyl-4,5-dihydrooxazol-4-ylidene)methyl]phenyl 4-methylphenylsulfonate
• Formula: C24 H19 N O6 S
• Calculated formula: C24 H19 N O6 S
• SMILES: S(=O)(=O)(Oc1ccc(cc1OC)/C=C1N=C(OC\1=O)c1ccccc1)c1ccc(cc1)C
• Title of publication: 2-Methoxy-4-[(5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl 4-methylbenzenesulfonate
• Authors of publication: Betül Şen; Gülsiye Öztürk; Serap Alp; Aygün, Muhittin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o223 - o224
• a: 6.7854 ± 0.0007 Å
• b: 10.2766 ± 0.0011 Å
• c: 16.0242 ± 0.0015 Å
• α: 101.338 ± 0.008°
• β: 94.775 ± 0.008°
• γ: 99.492 ± 0.008°
• Cell volume: 1072.82 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes