Crystallography Open Database

Information card for entry 7113960

Preview

Coordinates	7113960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O7
Calculated formula	C21 H19 N O7
SMILES	o1c(=O)cc(c2ccc(OC)cc12)c1c(c(nc(c1C(=O)OC)C)C)C(=O)OC
Title of publication	The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide
Authors of publication	Sufang Ma; De-Cai Fang; Baoming Ning; Minfeng Li; Lan He; Bing Gong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	6475
a	7.747 ± 0.005 Å
b	26.405 ± 0.011 Å
c	9.973 ± 0.004 Å
α	90°
β	109.683 ± 0.012°
γ	90°
Cell volume	1920.9 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0752
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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