Information card for entry 2223255

Structure parameters

• Chemical name: <i>N</i>,<i>N'</i>-Bis(1-ethynylcyclohexyl)pyromellitic diimide
• Formula: C26 H24 N2 O4
• Calculated formula: C26 H24 N2 O4
• SMILES: C#CC1(CCCCC1)N1C(=O)c2c(C1=O)cc1c(c2)C(=O)N(C1=O)C1(CCCCC1)C#C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(1-ethynylcyclohexyl)pyromellitic diimide
• Authors of publication: Gondo, Chenaimwoyo A.; Lynch, Daniel E.; Hamilton, Darren G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2122
• a: 13.1774 ± 0.0003 Å
• b: 7.1519 ± 0.0001 Å
• c: 11.8104 ± 0.0003 Å
• α: 90°
• β: 112.495 ± 0.001°
• γ: 90°
• Cell volume: 1028.36 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes