Information card for entry 4026261

Structure parameters

• Formula: C26 H20 N4
• Calculated formula: C26 H20 N4
• SMILES: n1nn(c2c3c4c(cc2)ccc2c4c(cc3)ccc2)cc1c1ccc(N(C)C)cc1
• Title of publication: Installation/Modulation of the Emission Response via Click Reaction
• Authors of publication: Subhendu Sekhar Bag; Rajen Kundu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3348 - 3356
• a: 5.709 ± 0.0002 Å
• b: 16.6315 ± 0.0005 Å
• c: 20.8904 ± 0.0007 Å
• α: 90°
• β: 95.408 ± 0.002°
• γ: 90°
• Cell volume: 1974.7 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.109
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No