Information card for entry 8106147

Structure parameters

• Chemical name: 4-methoxy-6-phenyl-2H-pyran-2-one
• Formula: C12 H10 O3
• Calculated formula: C12 H10 O3
• Title of publication: Crystal structure of 4-methoxy-6-phenyl-2H-pyran-2-one, C12H10O3
• Authors of publication: Obi, Grace; Zamisa, Sizwe J.; Heerden, Fanie R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 343 - 344
• a: 7.2709 ± 0.0005 Å
• b: 7.3228 ± 0.0005 Å
• c: 9.467 ± 0.0007 Å
• α: 82.241 ± 0.004°
• β: 88.161 ± 0.003°
• γ: 70.192 ± 0.005°
• Cell volume: 469.84 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No