Information card for entry 4073312

Structure parameters

• Formula: C19 H33 N3
• Calculated formula: C19 H33 N3
• SMILES: N(=C(NC(C)C)NC(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Structure, and Diverse Catalytic Activities of [Ethylenebis(indenyl)]lanthanide(III) Amides on N−H and C−H Addition to Carbodiimides andɛ-Caprolactone Polymerization
• Authors of publication: Zhou, Shuangliu; Wang, Shaowu; Yang, Gaosheng; Li, Qinghai; Zhang, Lijun; Yao, Zijian; Zhou, Zhangkai; Song, Hai-bin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3755
• a: 8.851 ± 0.0011 Å
• b: 14.2184 ± 0.0018 Å
• c: 14.9359 ± 0.0017 Å
• α: 90°
• β: 95.772 ± 0.005°
• γ: 90°
• Cell volume: 1870.1 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No