Crystallography Open Database

Information card for entry 7240774

Preview

Coordinates	7240774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H58 Cl2 N4 O12
Calculated formula	C57 H58 Cl2 N4 O12
Title of publication	Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride
Authors of publication	George, Nathaniel; Ofori, Samuel; Parkin, Sean; Awuah, Samuel G.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	40
Pages of publication	24017 - 24026
a	23.791 ± 0.002 Å
b	6.7169 ± 0.0006 Å
c	17.0032 ± 0.0016 Å
α	90°
β	103.374 ± 0.004°
γ	90°
Cell volume	2643.5 ± 0.4 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258084 (current)	2020-10-06	cif/ Updating files of 7240774 Original log message: Adding full bibliography for 7240774.cif.	7240774.cif
253392	2020-06-24	cif/ Adding structures of 7240774 via cif-deposit CGI script.	7240774.cif