Crystallography Open Database

Information card for entry 7113959

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Coordinates	7113959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N O7
Calculated formula	C21 H21 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	7.724 ± 0.005 Å
b	10.193 ± 0.004 Å
c	12.477 ± 0.004 Å
α	79.98 ± 0.03°
β	89.35 ± 0.04°
γ	89.15 ± 0.04°
Cell volume	967.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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