Information card for entry 7105483

Structure parameters

• Formula: C16 H8 N2 O2
• Calculated formula: C16 H8 N2 O2
• SMILES: n1c2C(=O)c3ccccc3C(=O)c2nc2c1cccc2
• Title of publication: N-heteroquinones: quadruple weak hydrogen bonds and n-channel transistors.
• Authors of publication: Tang, Qin; Liang, Zhixiong; Liu, Jing; Xu, Jianbin; Miao, Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 2977 - 2979
• a: 12.1301 ± 0.0006 Å
• b: 3.8545 ± 0.0002 Å
• c: 24.3276 ± 0.0012 Å
• α: 90°
• β: 94.578 ± 0.001°
• γ: 90°
• Cell volume: 1133.82 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No