Information card for entry 7135507

Structure parameters

• Formula: C21 H24 Cl N O6
• Calculated formula: C21 H24 Cl N O6
• Title of publication: Chloride-incorporating cascade dearomatization of isoquinolines with chloroformate and DMAD achieving 100% atom economy.
• Authors of publication: Mao, Zhuo-Ya; Yan, De-Xiang; Zhou, Su-Fan; Liu, Meng-En; Li, You-Zherui; Liang, Tai-Gang; Wei, Bang-Guo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1860 - 1863
• a: 20.5201 ± 0.0005 Å
• b: 8.6569 ± 0.0002 Å
• c: 22.7664 ± 0.0006 Å
• α: 90°
• β: 90.366 ± 0.002°
• γ: 90°
• Cell volume: 4044.15 ± 0.17 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No