Information card for entry 4084169

Structure parameters

• Formula: C28 H24 N2 O7
• Calculated formula: C28 H24 N2 O7
• SMILES: O([C@H]([C@H](C)/C=C\N1C(=O)c2c(cccc2)C1=O)c1ccc(N(=O)=O)cc1)C(=O)[C@@H](OC)c1ccccc1
• Title of publication: Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer
• Authors of publication: Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 3924
• a: 8.8953 ± 0.0003 Å
• b: 11.8609 ± 0.0004 Å
• c: 23.4715 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.39 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No