Information card for entry 2219436

Structure parameters

• Common name: NDICHex
• Chemical name: <i>N</i>,<i>N</i>'-dicyclohexylnaphthalene-1,8;4:5-dicarboximide
• Formula: C26 H26 N2 O4
• Calculated formula: C26 H26 N2 O4
• SMILES: O=C1c2ccc3c4c2c(C(=O)N1C1CCCCC1)ccc4C(=O)N(C3=O)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexylnaphthalene-1,8;4:5-dicarboximide
• Authors of publication: Shukla, Deepak; Rajeswaran, Manju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1735
• a: 8.541 ± 0.0002 Å
• b: 6.678 ± 0.0002 Å
• c: 18.427 ± 0.0009 Å
• α: 90°
• β: 102.479 ± 0.0018°
• γ: 90°
• Cell volume: 1026.19 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes