Crystallography Open Database

Information card for entry 7160067

Preview

Coordinates	7160067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 F N2 O5
Calculated formula	C15 H17 F N2 O5
Title of publication	Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds.
Authors of publication	Esteban, Alberto; Ortega, Pablo; Sanz, Francisca; Jambrina, Pablo G.; Díez, David
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	32
Pages of publication	6582 - 6592
a	6.3774 ± 0.0003 Å
b	8.9628 ± 0.0005 Å
c	13.9221 ± 0.0007 Å
α	90°
β	99.748 ± 0.004°
γ	90°
Cell volume	784.29 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0365
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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