Information card for entry 7132677

Structure parameters

• Formula: C27 H24 N4 O
• Calculated formula: C27 H24 N4 O
• SMILES: O1C(=N\CCc2c3c([nH]c2)cccc3)/C2N(N=C1c1ccccc1)CCc1c2cccc1
• Title of publication: Chiral phosphoric acid-catalyzed enantioselective [5+1] cycloaddition reaction of <i>C</i>,<i>N</i>-cyclic azomethine imines with isocyanides.
• Authors of publication: Yu, Jiulong; Wu, Jinyu; Zhu, Yu; Xiong, Dong; Yang, Lin; Li, Jun; Zheng, Jianfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 19
• Pages of publication: 2637 - 2640
• a: 26.264 ± 0.002 Å
• b: 9.4519 ± 0.0008 Å
• c: 18.6059 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4618.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No