Information card for entry 7158457

Structure parameters

• Formula: C20 H20 Cl N Si
• Calculated formula: C20 H20 Cl N Si
• Title of publication: One-step synthesis of indolizino[3,4,5-<i>ab</i>]isoindoles by manganese(I)-catalyzed C-H activation: structural studies and photophysical properties.
• Authors of publication: Cembellín, Sara; Maisuls, Iván; Daniliuc, Constantin G.; Osthues, Helena; Doltsinis, Nikos L.; Strassert, Cristian A.; Glorius, Frank
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 796 - 800
• a: 8.4528 ± 0.0003 Å
• b: 10.0726 ± 0.0004 Å
• c: 11.6966 ± 0.0006 Å
• α: 77.56 ± 0.004°
• β: 75.781 ± 0.003°
• γ: 68.597 ± 0.002°
• Cell volume: 890.01 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No