Information card for entry 7114973

Structure parameters

• Formula: C48 H36 N4 O4
• Calculated formula: C48 H36 N4 O8
• Title of publication: Exploiting modularity in template-controlled synthesis: a new linear template to direct reactivity within discrete hydrogen-bonded molecular assemblies in the solid state
• Authors of publication: Papaefstathiou, Giannis S.; Kipp, Alex J.; MacGillivray, Leonard R.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 2462
• a: 10.0592 ± 0.0002 Å
• b: 15.4694 ± 0.0004 Å
• c: 12.4151 ± 0.0003 Å
• α: 90°
• β: 97.404 ± 0.0011°
• γ: 90°
• Cell volume: 1915.8 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.1034
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No