Information card for entry 4113137

Structure parameters

• Formula: C25 H25 N3 O7
• Calculated formula: C25 H25 N3 O7
• SMILES: o1c([C@H](N(C(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)c2ccc(OC)cc2)C[C@@H](C(=C)C)C)ccc1.o1c([C@@H](N(C(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)c2ccc(OC)cc2)C[C@H](C(=C)C)C)ccc1
• Title of publication: Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc
• Authors of publication: Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14360 - 14361
• a: 9.4444 ± 0.0004 Å
• b: 10.749 ± 0.001 Å
• c: 13.384 ± 0.002 Å
• α: 100.714 ± 0.004°
• β: 100.568 ± 0.003°
• γ: 109.558 ± 0.002°
• Cell volume: 1212.9 ± 0.2 ų
• Cell temperature: 297.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.616
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No