Crystallography Open Database

Information card for entry 2007140

2007139 << 2007140 >> 2007141

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Coordinates	2007140.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H20 N2 O4
Calculated formula	C18 H20 N2 O4
SMILES	c1(ccc(cc1)O)O.c1n(=O)cccc1C.c1c(cccn1=O)C
Title of publication	2:1 Complex of 3-Picoline <i>N</i>-Oxide and Hydroquinone
Authors of publication	Moreno-Fuquen, Rodolfo; Gambardella, Maria Teresa do Prado; Valderrama-N, Jaime
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	4
Pages of publication	515 - 517
a	11.2065 ± 0.0005 Å
b	6.0273 ± 0.0004 Å
c	12.7077 ± 0.0005 Å
α	90°
β	105.1 ± 0.03°
γ	90°
Cell volume	828.7 ± 0.14 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.1374
Weighted residual factors for significantly intense reflections	0.123
Goodness-of-fit parameter for all reflections	1.022
Goodness-of-fit parameter for significantly intense reflections	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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