Crystallography Open Database

Information card for entry 7061729

Preview

Coordinates	7061729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N6 O9 S2
Calculated formula	C32 H30 N6 O9 S2
Title of publication	Visible-light-promoted sulfenylation of 6-aminouracils under catalyst-free conditions
Authors of publication	Saikia, B. Shriya; Borpatra, Paran J.; Rahman, Iftakur; Deb, Mohit L.; Baruah, Pranjal K.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	34
Pages of publication	16523 - 16529
a	15.2751 ± 0.0013 Å
b	15.2751 ± 0.0013 Å
c	13.9765 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3261.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277677 (current)	2022-09-06	cif/ Updating files of 7061729 Original log message: Adding full bibliography for 7061729.cif.	7061729.cif
277255	2022-08-16	cif/ Adding structures of 7061729 via cif-deposit CGI script.	7061729.cif