Information card for entry 2233635

Structure parameters

• Chemical name: (4<i>Z</i>,6<i>Z</i>)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5- one
• Formula: C22 H22 O5
• Calculated formula: C22 H22 O5
• SMILES: O1C(=C\c2ccc(OC)cc2)/C(=O)/C(=C/c2ccc(OC)cc2)OC1(C)C
• Title of publication: (4<i>Z</i>,6<i>Z</i>)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one
• Authors of publication: Mojtahedi, Mohammad M.; Massa, Werner; Abaee, M. Saeed; Mesbah, A. Wahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o356
• a: 9.24 ± 0.0007 Å
• b: 40.384 ± 0.004 Å
• c: 10.1643 ± 0.0008 Å
• α: 90°
• β: 91.988 ± 0.009°
• γ: 90°
• Cell volume: 3790.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes