Information card for entry 7156908

Structure parameters

• Formula: C49 H39 B Cl3 F3 N2
• Calculated formula: C49 H39 B Cl3 F3 N2
• Title of publication: Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.
• Authors of publication: Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 6470 - 6477
• a: 8.5885 ± 0.0006 Å
• b: 14.6907 ± 0.0012 Å
• c: 16.3399 ± 0.0013 Å
• α: 93.829 ± 0.003°
• β: 94.403 ± 0.003°
• γ: 98.387 ± 0.003°
• Cell volume: 2027.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2054
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No