Information card for entry 1551777

Structure parameters

• Formula: C23 H21 N3 O4
• Calculated formula: C23 H21 N3 O4
• SMILES: c1cccc2c1C(=O)N(C2=O)CCN(CCN1C(=O)c2c(C1=O)cccc2)CC=C
• Title of publication: Synthesis and Crystal Structure of 2,2′-[(Allylimino)diethane-2,1-diyl]bisphthalimide
• Authors of publication: LATXAGUE, Laurent; CHANSEAU, Christel; DURRIEU, Marie-Christine; MASSIP, Stéphane; LEGER, Jean-Michel
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 55
• a: 8.013 ± 0.006 Å
• b: 32.731 ± 0.007 Å
• c: 8.485 ± 0.002 Å
• α: 90°
• β: 113.5 ± 0.04°
• γ: 90°
• Cell volume: 2040.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No