Information card for entry 7226801

Structure parameters

• Formula: C13 H22 N2 O2
• Calculated formula: C13 H22 N2 O2
• SMILES: N(\CC(C)(C)O)=C1/N(CC(C)(C)O)C=CC=C1
• Title of publication: Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides
• Authors of publication: Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 100
• Pages of publication: 97800
• a: 12.976 ± 0.0003 Å
• b: 9.0107 ± 0.0002 Å
• c: 12.2487 ± 0.0003 Å
• α: 90°
• β: 102.498 ± 0.002°
• γ: 90°
• Cell volume: 1398.22 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0947
• 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