Information card for entry 4514206

Structure parameters

• Formula: C20.25 H24.25 Cl0.5 O2
• Calculated formula: C20.25 H24.25 Cl0.5 O2
• Title of publication: Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes
• Authors of publication: Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 7008
• a: 38.935 ± 0.009 Å
• b: 8.5678 ± 0.0006 Å
• c: 28.446 ± 0.007 Å
• α: 90°
• β: 133.9 ± 0.04°
• γ: 90°
• Cell volume: 6837 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1815
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No