Information card for entry 1502329

Structure parameters

• Common name: Marek-61(Ahmed)
• Formula: C38 H36 O2 Si
• Calculated formula: C38 H36 O2 Si
• SMILES: [Si](C1=C(C1(C)C)[C@@](O)([C@H](OC)c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](C1=C(C1(C)C)[C@](O)([C@@H](OC)c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Regioselective carbon-carbon bond cleavage in the oxidation of cyclopropenylcarbinols.
• Authors of publication: Basheer, Ahmad; Mishima, Masaaki; Marek, Ilan
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4076 - 4079
• a: 9.415 ± 0.002 Å
• b: 9.448 ± 0.002 Å
• c: 20.671 ± 0.004 Å
• α: 76.93 ± 0.02°
• β: 82.6 ± 0.02°
• γ: 62.75 ± 0.02°
• Cell volume: 1591.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1598
• 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