Information card for entry 7055572

Structure parameters

• Formula: C32 H42 O2 Se2
• Calculated formula: C32 H42 O2 Se2
• SMILES: [C@H]12C[C@H]([C@H](C[C@H]1C2(C)C)Oc1ccccc1[Se][Se]c1ccccc1O[C@@H]1[C@@H](C[C@H]2[C@@H](C1)C2(C)C)C)C
• Title of publication: New diphenyl diselenides o-substituted by an O(S,Se)-caranyl skeleton ‒ synthesis and application in asymmetric reactions
• Authors of publication: Ścianowski, Jacek; Pacuła, Agata J.; Zielińska-Błajet, Mariola; Wojtczak, Andrzej
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6697
• a: 10.0882 ± 0.0008 Å
• b: 12.863 ± 0.001 Å
• c: 11.871 ± 0.001 Å
• α: 90°
• β: 102.335 ± 0.006°
• γ: 90°
• Cell volume: 1504.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No