Information card for entry 7024527

Structure parameters

• Formula: C13 H20 N2 O
• Calculated formula: C13 H20 N2 O
• SMILES: O=C(Nc1ccccc1)N(CCC)CCC
• Title of publication: Isocyanate diinsertion into the N-H bond of the 2-pyridylamino ligand of organolanthanides.
• Authors of publication: Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 221 - 226
• a: 16.865 ± 0.006 Å
• b: 17.396 ± 0.006 Å
• c: 9.709 ± 0.003 Å
• α: 90°
• β: 106.67 ± 0.005°
• γ: 90°
• Cell volume: 2728.7 ± 1.6 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: 0.12
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No