Information card for entry 4022963

Structure parameters

• Formula: C15 H17 N5 O
• Calculated formula: C15 H17 N5 O
• SMILES: N1(C(N(c2c1cccc2)C)=NN=Nc1ccccc1)C.O
• Title of publication: Donor-Acceptor Triazenes: Synthesis, Characterization, and Study of Their Electronic and Thermal Properties
• Authors of publication: Dimitri M. Khramov; Christopher W. Bielawski
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9407 - 9417
• a: 22.4468 ± 0.0007 Å
• b: 22.4468 ± 0.0007 Å
• c: 5.7427 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893.5 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No