Crystallography Open Database

Information card for entry 7202702

7202701 << 7202702 >> 7202703

Preview

Structure parameters

Formula	C34 H50 N4 O9
Calculated formula	C34 H50 N4 O9
SMILES	c1ccc2c(c1OCC(=O)NC1CCCCC1)nccc2.O.O.O
Title of publication	Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides
Authors of publication	Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	5
Pages of publication	379
a	12.2204 ± 0.0002 Å
b	12.5113 ± 0.0002 Å
c	13.5098 ± 0.0002 Å
α	69.946 ± 0.001°
β	87.21 ± 0.001°
γ	68.896 ± 0.001°
Cell volume	1803.58 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1046
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2305
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7202702.html