Information card for entry 2234118

Structure parameters

• Chemical name: 1,4-Dihexyloxy-2,5-bis(2-nitrophenyl)benzene
• Formula: C30 H36 N2 O6
• Calculated formula: C30 H36 N2 O6
• SMILES: c1(c(OCCCCCC)cc(c(c1)OCCCCCC)c1ccccc1N(=O)=O)c1ccccc1N(=O)=O
• Title of publication: 1,4-Dihexyloxy-2,5-bis(2-nitrophenyl)benzene
• Authors of publication: Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1022
• a: 7.9314 ± 0.0004 Å
• b: 19.2029 ± 0.0017 Å
• c: 9.1247 ± 0.0005 Å
• α: 90°
• β: 96.368 ± 0.005°
• γ: 90°
• Cell volume: 1381.17 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes