Crystallography Open Database

Information card for entry 7034929

Preview

Coordinates	7034929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl N7 O7
Calculated formula	C30 H28 Cl N7 O7
SMILES	Cl(=O)(=O)(=O)[O-].N(C(=O)c1ccc(cc1)C#N)CC[NH+](CCNC(=O)c1ccc(cc1)C#N)CCNC(=O)c1ccc(cc1)C#N
Title of publication	Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies.
Authors of publication	Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	34
Pages of publication	15220 - 15231
a	7.7883 ± 0.0013 Å
b	12.119 ± 0.002 Å
c	16.814 ± 0.003 Å
α	73.176 ± 0.01°
β	84.484 ± 0.009°
γ	86.573 ± 0.011°
Cell volume	1511.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1324
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2649
Weighted residual factors for all reflections included in the refinement	0.3068
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
161678 (current)	2015-10-09	cif/ Updating files of 7034925, 7034926, 7034927, 7034928, 7034929, 7034930, 7034931, 7034932, 7034933, 7034934 Original log message: Adding full bibliography for 7034925--7034934.cif.	7034929.cif
135891	2015-05-09	cif/ Adding structures of 7034925, 7034926, 7034927, 7034928, 7034929, 7034930, 7034931, 7034932, 7034933, 7034934 via cif-deposit CGI script.	7034929.cif