Information card for entry 4038634

Structure parameters

• Formula: C20 H12 Cl N O4
• Calculated formula: C20 H12 Cl N O4
• Title of publication: Domino [4+2] Annulation Access to Quinone-Indolizine Hybrids: Anticancer N-Fused Polycycles.
• Authors of publication: Joshi, Dirgha Raj; Seo, Yohan; Heo, Yunkyung; Park, So-Hyeon; Lee, Yechan; Namkung, Wan; Kim, Ikyon
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.2755 ± 0.0003 Å
• b: 10.0566 ± 0.0004 Å
• c: 14.2145 ± 0.0006 Å
• α: 96.365 ± 0.003°
• β: 98.489 ± 0.003°
• γ: 108.418 ± 0.004°
• Cell volume: 1094.34 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No