Information card for entry 1557241

Structure parameters

• Formula: C10 H16 Cl4 Se
• Calculated formula: C10 H16 Cl4 Se
• SMILES: Cl[Se]([C@H]1[C@@H](CCC1)Cl)([C@H]1[C@@H](CCC1)Cl)Cl.Cl[Se]([C@@H]1[C@H](CCC1)Cl)([C@@H]1[C@H](CCC1)Cl)Cl
• Title of publication: Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.
• Authors of publication: Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2020
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 194
• a: 20.6655 ± 0.0016 Å
• b: 6.0655 ± 0.0005 Å
• c: 14.7555 ± 0.0019 Å
• α: 90°
• β: 133.69 ± 0.002°
• γ: 90°
• Cell volume: 1337.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No