Information card for entry 7206801

Structure parameters

• Common name: 2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (+/-) 2-methyl-1-butanol
• Chemical name: 2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (+/-) 2-methyl-1-butanol
• Formula: C30 H38 N2 O7
• Calculated formula: C25 H26 N2 O6
• Title of publication: Inclusion of a chiral guest in a centrosymmetric organic host lattice
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6941
• a: 9.0116 ± 0.0007 Å
• b: 9.408 ± 0.0006 Å
• c: 18.0095 ± 0.0014 Å
• α: 83.76 ± 0.006°
• β: 76.517 ± 0.007°
• γ: 79.61 ± 0.006°
• Cell volume: 1456.89 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No