Crystallography Open Database

Information card for entry 7153198

Preview

Coordinates	7153198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N0 O7
Calculated formula	C18 H16 O7
SMILES	O1c2ccc3c(oc(=O)c(C(=O)OCC)c3)c2C=C(C1(O)C)C(=O)C
Title of publication	A coumarin-based fluorescent probe for biological thiols and its application for living cell imaging.
Authors of publication	Long, Lingliang; Zhou, Liping; Wang, Lin; Meng, Suci; Gong, Aihua; Du, Fengyi; Zhang, Chi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	47
Pages of publication	8214 - 8220
a	8.32 ± 0.01 Å
b	28.09 ± 0.03 Å
c	7.621 ± 0.009 Å
α	90°
β	115.891 ± 0.012°
γ	90°
Cell volume	1602 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7153198.html