Crystallography Open Database

Information card for entry 4507817

Preview

Coordinates	4507817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 B N O2
Calculated formula	C9 H14 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	15.28 ± 0.003 Å
b	6.9985 ± 0.0015 Å
c	9.377 ± 0.002 Å
α	90°
β	93.884 ± 0.004°
γ	90°
Cell volume	1000.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0548
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4507817.cif
87094	2013-07-14	cif/ Adding structures of 4507817 via cif-deposit CGI script.	4507817.cif