Information card for entry 4517658

Structure parameters

• Formula: C25 H25 Cl2 N2 P Se2
• Calculated formula: C25 H25 Cl2 N2 P Se2
• 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: 9.609 ± 0.0012 Å
• b: 23.648 ± 0.003 Å
• c: 11.5281 ± 0.0014 Å
• α: 90°
• β: 101.559 ± 0.003°
• γ: 90°
• Cell volume: 2566.4 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No