Information card for entry 7109683

Structure parameters

• Formula: C26 H24 N4 O2
• Calculated formula: C26 H24 N4 O2
• SMILES: c12c(cccc1)CCN1C2N(C(=O)C)N=C(CN1C(=O)c1ccccc1)c1ccccc1
• Title of publication: [4+3] Cycloaddition of in situ generated azoalkenes with C,N-cyclic azomethine imines: efficient synthesis of tetrazepine derivatives
• Authors of publication: Xiao-Qiang Hu; Jia-Rong Chen; Shuang Gao; Bin Feng; Liang-Qiu Lu; Wen-Jing Xiao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7905
• a: 25.251 ± 0.004 Å
• b: 11.0982 ± 0.0016 Å
• c: 18.647 ± 0.003 Å
• α: 90°
• β: 122.073 ± 0.002°
• γ: 90°
• Cell volume: 4428.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No