Information card for entry 2235096

Structure parameters

• Common name: 7,8-Dispirohexyl-7,8-dihydro-[1,4]dioxecino[7,6-b:8,9-b']dipyridine-5,10-dione
• Chemical name: 1,1'-Bicyclohexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxylate
• Formula: C24 H26 N2 O4
• Calculated formula: C24 H26 N2 O4
• SMILES: O=C1OC2(CCCCC2)C2(CCCCC2)OC(=O)c2c(c3c1cccn3)nccc2
• Title of publication: 1,1'-Bicyclohexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Lim, Ming Yeng; Quah, Ching Kheng; Wu, Dongdong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1629
• a: 16.7647 ± 0.0003 Å
• b: 10.2618 ± 0.0002 Å
• c: 11.5755 ± 0.0002 Å
• α: 90°
• β: 99.81 ± 0.001°
• γ: 90°
• Cell volume: 1962.28 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0535
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes