Information card for entry 1549575

Structure parameters

• Formula: C27 H28 N4 O2
• Calculated formula: C27 H28 N4 O2
• SMILES: O=C([C@@H]([C@@H](N=N#N)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1)CCC.O=C([C@H]([C@H](N=N#N)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1)CCC
• Title of publication: (Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins.
• Authors of publication: Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 28
• Pages of publication: 6085 - 6090
• a: 22.679 ± 0.007 Å
• b: 10.176 ± 0.003 Å
• c: 21.562 ± 0.006 Å
• α: 90°
• β: 94.879 ± 0.004°
• γ: 90°
• Cell volume: 4958 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No