Information card for entry 4110842

Structure parameters

• Common name: Bisoxzaolidine
• Chemical name: (1R,2S)-cis-1-amino-2-indanol derived bisoxazolidine
• Formula: C24.5 H24.5 Cl1.5 N2 O2
• Calculated formula: C24.5 H24.5 Cl1.5 N2 O2
• SMILES: ClC(Cl)Cl.O1[C@@]2([C@@]3(O[C@@H]4[C@H](N3)c3c(C4)cccc3)CCCC2)N[C@@H]2c3c(C[C@H]12)cccc3
• Title of publication: Bisoxazolidine-Catalyzed Enantioselective Alkynylation of Aldehydes
• Authors of publication: Christian Wolf; Shuanglong Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10996 - 10997
• a: 16.9199 ± 0.0016 Å
• b: 5.5487 ± 0.0005 Å
• c: 23.585 ± 0.002 Å
• α: 90°
• β: 108.519 ± 0.001°
• γ: 90°
• Cell volume: 2099.6 ± 0.3 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: 0.1067
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No