Information card for entry 2210706

Structure parameters

• Chemical name: 3,4-Dimethoxychalcone
• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: O=C(c1ccccc1)/C=C/c1cc(OC)c(OC)cc1
• Title of publication: 3,4-Dimethoxychalcone
• Authors of publication: Venkataraya Shettigar; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; P. S. Patil; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4646 - o4647
• a: 27.7541 ± 0.0004 Å
• b: 34.1948 ± 0.0004 Å
• c: 5.6487 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5360.88 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes