Information card for entry 4508097

Structure parameters

• Common name: CBTA.BPE-Form-II
• Chemical name: cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II
• Formula: C32 H28 N4 O8
• Calculated formula: C32 H28 N4 O8
• Title of publication: Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3299
• a: 7.3413 ± 0.0006 Å
• b: 11.2894 ± 0.0009 Å
• c: 18.0267 ± 0.001 Å
• α: 74.151 ± 0.006°
• β: 89.959 ± 0.006°
• γ: 71.697 ± 0.007°
• Cell volume: 1358.6 ± 0.19 ų
• Cell temperature: 120 ± 6 K
• Ambient diffraction temperature: 120 ± 6 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: 0.1381
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2728
• Weighted residual factors for all reflections included in the refinement: 0.3238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No