Information card for entry 7247792

Structure parameters

• Formula: C30 H28 O4 P2 S2
• Calculated formula: C30 H28 O4 P2 S2
• SMILES: S=[P@]12C[C@@]3(OC[C@@H]([C@@]3(C2)C)[C@@H]1COP1(=S)Oc2c(c3ccccc3cc2)c2c(O1)ccc1c2cccc1)C
• Title of publication: Synthesis of P-stereogenic 1-phosphanorbornane-derived phosphine–phosphite ligands and application in asymmetric catalysis
• Authors of publication: Ramazanova, Kyzgaldak; Chakrabortty, Soumyadeep; Müller, Bernd H.; Lönnecke, Peter; de Vries, Johannes G.; Hey-Hawkins, Evamarie
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 49
• Pages of publication: 34439 - 34444
• a: 7.4304 ± 0.0001 Å
• b: 16.7705 ± 0.0003 Å
• c: 22.5342 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2808.02 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No