Information card for entry 7101979

Structure parameters

• Formula: C48 H70 N4 O4
• Calculated formula: C48 H70 N4 O4
• SMILES: O=C(N(C(C)C)C(C)C)c1c(cccc1c1cc(c(cc1C(=O)N(C(C)C)C(C)C)c1c(c(ccc1)C)C(=O)N(C(C)C)C(C)C)C(=O)N(C(C)C)C(C)C)C
• Title of publication: Transmitting information along oligo-para-phenylenes: 1,12-stereochemical control in a terphenyl tetracarboxamide
• Authors of publication: Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2357 - 2359
• a: 11.4928 ± 0.0016 Å
• b: 18.165 ± 0.003 Å
• c: 21.418 ± 0.003 Å
• α: 90°
• β: 91.217 ± 0.003°
• γ: 90°
• Cell volume: 4470.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No