Crystallography Open Database

Information card for entry 1547200

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Structure parameters

Formula	C20 H16 O2
Calculated formula	C20 H16 O2
SMILES	O=C(C(=Cc1c2c(cc3c1cccc3)cccc2)C(=O)C)C
Title of publication	Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae.
Authors of publication	Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit
Journal of publication	Analytical chemistry
Year of publication	2017
Journal volume	89
Journal issue	19
Pages of publication	10625 - 10636
a	17.5147 ± 0.0011 Å
b	33.238 ± 0.002 Å
c	5.0184 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2921.5 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n 21 a
Hall space group symbol	P -2ac -2n
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation probe	x-ray
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1547200.cif
214153	2019-03-18	cif/1 Fixing Z values and formulae	1547200.cif
201744	2017-10-05	cif/ Updating files of 1547198, 1547199, 1547200 Original log message: Adding full bibliography for 1547198--1547200.cif.	1547200.cif
200961	2017-09-17	cif/ Adding structures of 1547200 via cif-deposit CGI script.	1547200.cif