Crystallography Open Database

Information card for entry 1564671

Preview

Coordinates	1564671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H38 N6 O8 S
Calculated formula	C43 H38 N6 O8 S
SMILES	s1c(nc2c1cccc2)c1cc2C3(c4c(Oc2cc1Oc1c(N(=O)=O)cc(N(=O)=O)cc1)c1c2c(c4)CCCN2CCC1)N(N)C(=O)c1c3cccc1.O(CC)CC
Title of publication	Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe
Authors of publication	Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan
Journal of publication	Chemical Science
Year of publication	2021
a	17.669 ± 0.005 Å
b	9.336 ± 0.003 Å
c	23.887 ± 0.007 Å
α	90°
β	102.697 ± 0.006°
γ	90°
Cell volume	3844 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1824
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
269186 (current)	2021-09-18	cif/ Adding structures of 1564666, 1564667, 1564668, 1564669, 1564670, 1564671 via cif-deposit CGI script.	1564671.cif