Information card for entry 4517657

Structure parameters

• Formula: C16 H12 N2 O2 Se
• Calculated formula: C16 H12 N2 O2 Se
• 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: 7.495 ± 0.004 Å
• b: 7.59 ± 0.004 Å
• c: 12.69 ± 0.006 Å
• α: 95.836 ± 0.013°
• β: 96.199 ± 0.007°
• γ: 107.677 ± 0.014°
• Cell volume: 676.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0672
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No