Information card for entry 1572584

Structure parameters

• Formula: C20 H22 Cl O3 P
• Calculated formula: C20 H22 Cl O3 P
• SMILES: ClP(=O)(C(=O)c1c(cc(cc1C)C)C)C(=O)c1c(cc(cc1C)C)C
• Title of publication: Beyond absorption maxima: the impact of wavelength-resolved photochemistry on materials science.
• Authors of publication: Thijssen, Quinten; Carroll, Joshua A.; Feist, Florian; Beil, Andreas; Grützmacher, Hansjörg; Wegener, Martin; Van Vlierberghe, Sandra; Barner-Kowollik, Christopher
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6184 - 6191
• a: 16.2107 ± 0.0009 Å
• b: 16.3358 ± 0.0009 Å
• c: 7.1968 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1905.82 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No