Crystallography Open Database

Information card for entry 4038062

Preview

Coordinates	4038062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Cl N4 O2 S
Calculated formula	C18 H21 Cl N4 O2 S
Title of publication	Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.
Authors of publication	Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	7
Pages of publication	4753 - 4771
a	6.2963 ± 0.0002 Å
b	12.2014 ± 0.0003 Å
c	12.3922 ± 0.0004 Å
α	89.249 ± 0.002°
β	79.699 ± 0.003°
γ	81.512 ± 0.003°
Cell volume	926.32 ± 0.05 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
250112 (current)	2020-04-04	cif/ Updating files of 4038061, 4038062 Original log message: Adding full bibliography for 4038061--4038062.cif.	4038062.cif
249375	2020-03-14	cif/ Adding structures of 4038062 via cif-deposit CGI script.	4038062.cif