Information card for entry 7101699

Structure parameters

• Common name: ps04.178
• Formula: C30 H17 N O2
• Calculated formula: C30 H17 N O2
• SMILES: c12cccc3cccc(c13)C(=O)N(C2=O)c1ccc(cc1)C#Cc1ccc2ccccc2c1
• 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: 9.329 ± 0.005 Å
• b: 17.981 ± 0.005 Å
• c: 25.306 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4245 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No