Information card for entry 7038968

Structure parameters

• Formula: C20 H37 P5 Se
• Calculated formula: C20 H37 P5 Se
• Title of publication: Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.
• Authors of publication: Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7267 - 7277
• a: 35.8486 ± 0.0005 Å
• b: 10.252 ± 0.0001 Å
• c: 30.1625 ± 0.0004 Å
• α: 90°
• β: 121.591 ± 0.001°
• γ: 90°
• Cell volume: 9442.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0726
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No