Information card for entry 7132487

Structure parameters

• Formula: C31 H30 N2 O6
• Calculated formula: C31 H30 N2 O6
• Title of publication: Organocatalytic regio- and enantioselective C1-arylation of β,γ-alkynyl-α-imino esters with pyrrolo[2,1-<i>a</i>]isoquinolines.
• Authors of publication: Zhang, Xuan; Song, Xiaoxiao; Ni, Qijian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 7
• Pages of publication: 831 - 834
• a: 10.1018 ± 0.0008 Å
• b: 11.4504 ± 0.0007 Å
• c: 13.7104 ± 0.0012 Å
• α: 105.43 ± 0.003°
• β: 99.759 ± 0.003°
• γ: 108.874 ± 0.004°
• Cell volume: 1388.58 ± 0.19 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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 all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No