Crystallography Open Database

Information card for entry 1564670

Preview

Coordinates	1564670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 N6 O7 S
Calculated formula	C42 H32 N6 O7 S
SMILES	s1c(nc2ccccc12)c1cc2C3(N(N=C(C)C)C(=O)c4c3cccc4)c3c(Oc2cc1Oc1ccc(N(=O)=O)cc1N(=O)=O)c1c2N(CCCc2c3)CCC1
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	17.642 ± 0.003 Å
b	9.1727 ± 0.0018 Å
c	23.263 ± 0.005 Å
α	90°
β	101.185 ± 0.009°
γ	90°
Cell volume	3693 ± 1.3 Å³
Cell temperature	174 ± 2 K
Ambient diffraction temperature	174 ± 2 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	0.1004
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2599
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	1564670.cif