Information card for entry 7114316

Structure parameters

• Chemical name: trans-(2R,2'R)-bis-(2-phthalimidecyclohexyl)pyromellitdiimide
• Formula: C48 H40 N6 O8
• Calculated formula: C48 H40 N6 O8
• SMILES: C1(=O)c2cc3C(=O)N(C(=O)c3cc2C(=O)N1[C@H]1[C@H](N2C(=O)c3ccccc3C2=O)CCCC1)[C@H]1[C@H](N2C(=O)c3ccccc3C2=O)CCCC1.n1ccccc1.n1ccccc1
• Title of publication: Folding of aromatic oligoimides of trans-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: CD spectra and experimental details. See http://www.rsc.org/suppdata/cc/b1/b110446b/
• Authors of publication: Gawronski, Jacek; Gawronska, Krystyna; Grajewski, Jakub; Kacprzak, Karol; Rychlewska, Urszula
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 582
• a: 18.283 ± 0.004 Å
• b: 11.023 ± 0.002 Å
• c: 11.901 ± 0.002 Å
• α: 90°
• β: 121.77 ± 0.03°
• γ: 90°
• Cell volume: 2039.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No