Crystallography Open Database

Information card for entry 2004743

2004742 << 2004743 >> 2004744

Preview

Coordinates	2004743.cif
Original IUCr paper	HTML

Structure parameters

Formula	C11 H9 N O4
Calculated formula	C11 H9 N O4
SMILES	OC(=O)CCN1C(=O)c2c(C1=O)cccc2
Title of publication	Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids
Authors of publication	Feeder, N.; Jones, W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	4
Pages of publication	913 - 919
a	7.079 ± 0.004 Å
b	8.949 ± 0.005 Å
c	15.893 ± 0.007 Å
α	90°
β	98.84 ± 0.04°
γ	90°
Cell volume	994.9 ± 0.9 Å³
Cell temperature	295 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.046
Goodness-of-fit parameter for significantly intense reflections	0.756
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
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/2004743.html