Information card for entry 4517656

Structure parameters

• Formula: C28 H22 O4 P2 Se4
• Calculated formula: C28 H22 O4 P2 Se4
• Title of publication: Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases.
• Authors of publication: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 11737 - 11744
• a: 7.22 ± 0.002 Å
• b: 14.28 ± 0.005 Å
• c: 13.986 ± 0.004 Å
• α: 90°
• β: 98.244 ± 0.007°
• γ: 90°
• Cell volume: 1427.1 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No