Information card for entry 7160374

Structure parameters

• Formula: C21 H21 Cl N2 O9
• Calculated formula: C21 H21 Cl N2 O9
• Title of publication: Stereospecific access to α-haloalkyl esters <i>via</i> enol ester epoxides and synthesis of a C3-C21 fragment of bastimolide A.
• Authors of publication: Howell, Lucas W.; Hackbarth, Jacob N.; Abraham, Jeffrey S.; Friestad, Gregory K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2802 - 2806
• a: 5.8622 ± 0.0006 Å
• b: 9.9029 ± 0.0008 Å
• c: 18.9327 ± 0.0016 Å
• α: 90°
• β: 96.29 ± 0.006°
• γ: 90°
• Cell volume: 1092.48 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0236
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No