Information card for entry 7101700

Structure parameters

• Formula: C26 H21 N O4
• Calculated formula: C26 H21 N O4
• SMILES: c1(cc2ccccc2cc1)OCCOCCN1C(=O)c2cccc3cccc(c23)C1=O
• Title of publication: Segregated assemblies in bridged electron-rich and electron-poor pi-conjugated moieties.
• Authors of publication: Benanti, Travis L; Saejueng, Pranorm; Venkataraman, D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 692 - 694
• a: 12.14 ± 0.005 Å
• b: 5.718 ± 0.005 Å
• c: 29.183 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.673 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2012 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0655
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No