Crystallography Open Database

Information card for entry 1564666

Preview

Coordinates	1564666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 N2 O4 S
Calculated formula	C33 H24 N2 O4 S
SMILES	s1c(nc2c1cccc2)c1c(O)cc2Oc3c(C4(OC(=O)c5c4cccc5)c2c1)cc1c2N(CCCc32)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	7.8981 ± 0.0018 Å
b	10.981 ± 0.002 Å
c	15.616 ± 0.004 Å
α	72.196 ± 0.004°
β	88.661 ± 0.004°
γ	80.402 ± 0.004°
Cell volume	1270.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	1564666.cif