Information card for entry 7109914

Structure parameters

• Formula: C24 H20 N4
• Calculated formula: C24 H20 N4
• SMILES: c1cnccc1C1C(c2ccncc2)C(C1c1ccncc1)c1ccncc1
• Title of publication: Recyclable nitrate-templated photochemical [2+2] cycloaddition reaction promoted by a tripodal receptor
• Authors of publication: Ashutosh S. Singh; Shih-Sheng Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10070
• a: 9.362 ± 0.0004 Å
• b: 13.932 ± 0.0003 Å
• c: 14.019 ± 0.0004 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 90°
• Cell volume: 1828.52 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No