Information card for entry 7010323

Structure parameters

• Formula: C13 H15 P Se3
• Calculated formula: C13 H15 P Se3
• SMILES: P1([Se][Se][C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)(=[Se])c1ccccc1.P1([Se][Se][C@@H]2[C@H]1[C@H]1CC[C@@H]2C1)(=[Se])c1ccccc1
• Title of publication: Heterocycle formation using [PhP(Se)(μ-Se)]2. The crystal structures of [PhP(Se)(μ-Se)]2, PhP(Se)Se2(C7H10) and PhP(Se)(μ-Se)(μ-NPh)P(Se)Ph
• Authors of publication: Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 300
• a: 17.3773 ± 0.0007 Å
• b: 6.6669 ± 0.0002 Å
• c: 12.9445 ± 0.0005 Å
• α: 90°
• β: 101.237 ± 0.001°
• γ: 90°
• Cell volume: 1470.91 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.0761
• Goodness-of-fit parameter for all reflections: 0.888
• Goodness-of-fit parameter for significantly intense reflections: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No