Information card for entry 7115606

Structure parameters

• Formula: C19 H19 N3 O
• Calculated formula: C19 H19 N3 O
• SMILES: O=C([C@@]1([C@H](N=N#N)CCCC1)c1ccccc1)c1ccccc1.O=C([C@]1([C@@H](N=N#N)CCCC1)c1ccccc1)c1ccccc1
• Title of publication: A Mn(III)/TEMPO-co-mediated tandem azidation-1,2-carbon migration reaction of allylic silyl ethers
• Authors of publication: Zhi-Min Chen; Zhen Zhang; Yong-Qiang Tu; Ming-Hui Xu; Fu-Min Zhang; Chen-Chen Li; Shao-Hua Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10805
• a: 15.709 ± 0.003 Å
• b: 8.4319 ± 0.0016 Å
• c: 12.274 ± 0.002 Å
• α: 90°
• β: 96.34 ± 0.02°
• γ: 90°
• Cell volume: 1615.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0962
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No