Information card for entry 1100245

Structure parameters

• Chemical name: 5-Benzylmethyl-4-(2,2-dimethylpropylidene)-5-(1-cyclopropylethoxy)-oxazolidin-2-one
• Formula: C21 H29 N O3
• Calculated formula: C26 H38 N O3
• Title of publication: Intramolecular Iron(II)-Catalyzed Addition Reactions of Propargyloxycarbonyl Azides
• Authors of publication: Bach, Thorsten; Schlummer, Björn; Harms, Klaus
• Journal of publication: Synlett
• Year of publication: 2000
• Journal volume: 2000
• Journal issue: 9
• Pages of publication: 1330 - 1332
• a: 13.514 ± 0.002 Å
• b: 12.213 ± 0.003 Å
• c: 12.644 ± 0.001 Å
• α: 90°
• β: 101.74 ± 0.02°
• γ: 90°
• Cell volume: 2043.19 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 7.71
• Weighted residual factors for significantly intense reflections: 7.71
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No