Information card for entry 7059015

Structure parameters

• Formula: C11 H13 Br O2 Se
• Calculated formula: C11 H13 Br O2 Se
• Title of publication: A novel methodology for the synthesis of condensed selenium heterocycles based on the annulation and annulation − methoxylation reactions of selenium dihalides
• Authors of publication: Musalov, Maxim V.; Yakimov, Vladimir A.; Potapov, Vladimir A.; Amosova, Svetlana V.; Borodina, Tatiana; Zinchenko, Sergey V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 9.4516 ± 0.0004 Å
• b: 17.5281 ± 0.0006 Å
• c: 8.3971 ± 0.0003 Å
• α: 90°
• β: 118.831 ± 0.001°
• γ: 90°
• Cell volume: 1218.7 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No