Crystallography Open Database

Information card for entry 4507819

Preview

Coordinates	4507819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 B N O2
Calculated formula	C12 H12 B N O2
Title of publication	Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids
Authors of publication	Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2441
a	7.8233 ± 0.0013 Å
b	11.795 ± 0.002 Å
c	11.5767 ± 0.0019 Å
α	90°
β	95.779 ± 0.003°
γ	90°
Cell volume	1062.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0523
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
179614 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78.	4507819.cif
87096	2013-07-14	cif/ Adding structures of 4507819 via cif-deposit CGI script.	4507819.cif