Crystallography Open Database

Information card for entry 7238761

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Coordinates	7238761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Cl2 N O5 S
Calculated formula	C23 H27 Cl2 N O5 S
Title of publication	From isoxazolidines to tetrahydro-1,3-oxazines for the synthesis of chiral pyrrolidines
Authors of publication	Flores, MariFe; García-García, Pilar; Garrido, Narciso M.; Marcos, Isidro S.; Sanz, Francisca; Díez, David
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	29
Pages of publication	11040
a	6.0659 ± 0.0002 Å
b	15.5656 ± 0.0006 Å
c	12.9608 ± 0.0005 Å
α	90°
β	99.791 ± 0.003°
γ	90°
Cell volume	1205.93 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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