Information card for entry 7131688

Structure parameters

• Chemical name: 3-bromo-11H-benzo[4,5]selenopheno[3,2-b]chromen-11-one
• Formula: C15 H7 Br O2 Se
• Calculated formula: C15 H7 Br O2 Se
• SMILES: Brc1ccc2c(Oc3c([se]c4c3cccc4)C2=O)c1
• Title of publication: Molybdenum(V)-mediated switching of the C(sp²)-Se bond of phenylselenyl-functionalized arenes or heterocycles under mild conditions.
• Authors of publication: Zhang, Ming; Nian, Beifang; Wu, Zhibang; Guo, Jianhua; Chen, Zhuo; Yuan, Caifeng; Huang, Xuankun; Shen, Yiwen; Zhang, Hongbin; Tang, E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 49
• Pages of publication: 7599 - 7602
• a: 12.133 ± 0.002 Å
• b: 7.2784 ± 0.0013 Å
• c: 14.645 ± 0.002 Å
• α: 90°
• β: 107.078 ± 0.006°
• γ: 90°
• Cell volume: 1236.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No