Crystallography Open Database

Information card for entry 7160374

Preview

Coordinates	7160374.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
299138 (current)	2025-04-05	cif/ Updating files of 7160374 Original log message: Adding full bibliography for 7160374.cif.	7160374.cif
297698	2025-02-12	cif/ Adding structures of 7160374 via cif-deposit CGI script.	7160374.cif