Crystallography Open Database

Information card for entry 1562116

Preview

Coordinates	1562116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C554 H856 B3 Cs3 F72 N109 O90.25 Si40
Calculated formula	C554 H856 B3 Cs3 F72 N109 O90.25 Si40
Title of publication	Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.
Authors of publication	Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7569 - 7574
a	26.3005 ± 0.0016 Å
b	46.071 ± 0.003 Å
c	30.4842 ± 0.0018 Å
α	90°
β	91.29 ± 0.004°
γ	90°
Cell volume	36928 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.1013
Weighted residual factors for significantly intense reflections	0.2578
Weighted residual factors for all reflections included in the refinement	0.2823
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
268617 (current)	2021-09-06	cif/ Updating files of 1562116, 1562117, 1562118 Original log message: Adding full bibliography for 1562116--1562118.cif.	1562116.cif
264562	2021-04-27	cif/ Adding structures of 1562116, 1562117, 1562118 via cif-deposit CGI script.	1562116.cif