Information card for entry 7114970

Structure parameters

• Formula: C24 H18 N2 O4
• Calculated formula: C24 H18 N2 O4
• 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: 7.599 ± 0.002 Å
• b: 29.271 ± 0.006 Å
• c: 9.106 ± 0.002 Å
• α: 90°
• β: 106.611 ± 0.004°
• γ: 90°
• Cell volume: 1940.9 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.1394
• Weighted residual factors for significantly intense reflections: 0.1197
• Goodness-of-fit parameter for all reflections: 0.846
• Goodness-of-fit parameter for significantly intense reflections: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No