Information card for entry 1505082

Structure parameters

• Formula: C25 H38 N2 O Si
• Calculated formula: C25 H38 N2 O Si
• SMILES: [Si](CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2c1cccc2)(CC)(CC)CC
• Title of publication: Interaction of Cinchonidine and 1-Phenyl-1,2-Propanedione on the Surface of a Chirally Modified Pt/Al2O3 Hydrogenation Catalyst
• Authors of publication: Busygin, I.; Tkachenko, O.P.; Nieminen, V.; Borokov, V.Yu.; Sillanpaa, R.; Toukoniitty, E.; Kustov, L.M.; Murzin, D.Yu.; Leino, R.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 26
• Pages of publication: 9374
• a: 9.9567 ± 0.0007 Å
• b: 7.9025 ± 0.0005 Å
• c: 15.4975 ± 0.0012 Å
• α: 90°
• β: 102.025 ± 0.004°
• γ: 90°
• Cell volume: 1192.63 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No