Crystallography Open Database

Information card for entry 4500053

Preview

Coordinates	4500053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 B N O4
Calculated formula	C44 H36 B N O4
Title of publication	Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)
Authors of publication	Tao Tu; Thierry Maris; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2008
Journal volume	8
Pages of publication	1541 - 1546
a	18.6055 ± 0.0005 Å
b	21.7959 ± 0.0006 Å
c	13.1561 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5335.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179531 (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 4/50/00.	4500053.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500053.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500053.cif
26781	2011-09-25	../uploads/cif-deposit/cod/cif Adding structures of 4500052, 4500053, 4500054, 4500055 via cif-deposit CGI script.	4500053.cif