Information card for entry 4115735

Structure parameters

• Formula: C18 H27 N O2
• Calculated formula: C18 H27 N O2
• SMILES: N1=C(OC[C@@H]1C(C)(C)C)C[C@H](C)[C@H](OC)c1ccccc1
• Title of publication: Diastereo- and Enantioselective Cyclopropanation with Chromium Fischer Carbene Complexes: Alkenyl Oxazolines as Useful Achiral and Chiral Substrates
• Authors of publication: José Barluenga; Angel L. Suárez-Sobrino; Miguel Tomás; Santiago García-Granda; Rafael Santiago-García
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10494 - 10501
• a: 7.407 ± 0.004 Å
• b: 12.392 ± 0.003 Å
• c: 9.432 ± 0.006 Å
• α: 90°
• β: 102.58 ± 0.02°
• γ: 90°
• Cell volume: 845 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No