Information card for entry 2214468

Structure parameters

• Chemical name: 2,5-Bis(3,4-dimethoxybenzylidene)cyclopentanone
• Formula: C23 H24 O5
• Calculated formula: C23 H24 O5
• SMILES: O=C1C(=C/c2ccc(OC)c(OC)c2)/CC\C1=C/c1ccc(OC)c(OC)c1
• Title of publication: 2,5-Bis(3,4-dimethoxybenzylidene)cyclopentanone
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Sarojini, B.K.; Bindya, S; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3270 - o3271
• a: 7.9492 ± 0.0009 Å
• b: 8.8428 ± 0.001 Å
• c: 27.603 ± 0.003 Å
• α: 90°
• β: 92.421 ± 0.002°
• γ: 90°
• Cell volume: 1938.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0602
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes