Crystallography Open Database

Information card for entry 1505899

Preview

Coordinates	1505899.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dicyclohexylammonium benzotriazolate phenol (1:1:1)
Formula	C24 H34 N4 O
Calculated formula	C24 H34 N4 O
Title of publication	Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.
Authors of publication	Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	8
Pages of publication	1577 - 1579
a	14.607 ± 0.003 Å
b	17.531 ± 0.003 Å
c	18.792 ± 0.003 Å
α	90°
β	103.93 ± 0.06°
γ	90°
Cell volume	4670.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1966
Weighted residual factors for all reflections included in the refinement	0.2276
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505899.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505899.cif
47835	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505899 via cif-deposit CGI script.	1505899.cif