Information card for entry 2205655

Structure parameters

• Chemical name: 3,6-(Z,Z)-Bis[(3,4,5-trimethyoxyphenyl)methylene]piperazine-2,5-dione
• Formula: C24 H26 N2 O8
• Calculated formula: C24 H26 N2 O8
• SMILES: C1(=O)NC(=C\c2cc(c(OC)c(c2)OC)OC)/C(=O)N/C1=C\c1cc(c(c(c1)OC)OC)OC
• Title of publication: (<i>Z</i>,<i>Z</i>)-3,6-Bis[(3,4,5-trimethoxyphenyl)methylene]piperazine-2,5-dione
• Authors of publication: Wendy A. Loughlin; Raymond L. Marshall; Kathryn E. Fairfull-Smith (nee Elson); Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1443 - o1445
• a: 35.204 ± 0.003 Å
• b: 5.282 ± 0.006 Å
• c: 12.738 ± 0.004 Å
• α: 90°
• β: 97.503 ± 0.015°
• γ: 90°
• Cell volume: 2348 ± 3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes