Information card for entry 1507696

Structure parameters

• Formula: C76 H72 N2 O8 Se2
• Calculated formula: C76 H72 N2 O8 Se2
• SMILES: [Se]([Se]c1ncccc1)c1ncccc1.O1C2(O[C@H]([C@@H]1C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1)CCCC2.O1C2(O[C@H]([C@@H]1C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1)CCCC2
• Title of publication: Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.
• Authors of publication: Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2568 - 2571
• a: 9.2984 ± 0.0001 Å
• b: 9.2984 ± 0.0001 Å
• c: 124.047 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9288.24 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No