Information card for entry 4023667

Structure parameters

• Formula: C22 H14 N2
• Calculated formula: C22 H14 N2
• SMILES: N#CC12C3C4(C1[C@H]1[C@@H]2c2ccccc2[C@@H]3[C@@H]4c2ccccc12)C#N.N#CC12C3C4(C1[C@@H]1[C@H]2c2ccccc2[C@H]3[C@H]4c2ccccc12)C#N
• Title of publication: Formation of Cubane-like Photodimers from 2-Naphthalenecarbonitrile
• Authors of publication: Gui-Hong Liao; Lin Luo; Hong-Xia Xu; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7345 - 7348
• a: 12.397 ± 0.003 Å
• b: 8.5763 ± 0.0017 Å
• c: 15.405 ± 0.003 Å
• α: 90°
• β: 105.96 ± 0.03°
• γ: 90°
• Cell volume: 1574.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No