Information card for entry 7114573

Structure parameters

• Formula: C32 H36 N2 O3
• Calculated formula: C32 H36 N2 O3
• SMILES: O=C(N1c2c(c3c(C1)cccc3)cccc2)[C@](N1CCC(OC)(OC)CC1)([C@@H](C=C)c1ccccc1)C.O=C(N1c2c(c3c(C1)cccc3)cccc2)[C@@](N1CCC(OC)(OC)CC1)([C@H](C=C)c1ccccc1)C
• Title of publication: Double axial chirality promoted asymmetric [2,3] Stevens rearrangement of N-cinnamyl L-alanine amide-derived ammonium ylides
• Authors of publication: Eiji Tayama; Noriko Naganuma; Hajime Iwamoto; Eietsu Hasegawa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6860
• a: 11.0902 ± 0.0003 Å
• b: 11.28 ± 0.0003 Å
• c: 12.216 ± 0.0003 Å
• α: 92.9461 ± 0.0012°
• β: 100.863 ± 0.0011°
• γ: 117.888 ± 0.0012°
• Cell volume: 1309.25 ± 0.06 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 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: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No