Crystallography Open Database

Information card for entry 4500052

Preview

Coordinates	4500052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H89 B2 N3 O11
Calculated formula	C110 H89 B2 N3 O11
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	15.2276 ± 0.0003 Å
b	15.6443 ± 0.0003 Å
c	19.1539 ± 0.0003 Å
α	90°
β	108.837 ± 0.001°
γ	90°
Cell volume	4318.55 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4500052.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500052.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500052.cif
26781	2011-09-25	../uploads/cif-deposit/cod/cif Adding structures of 4500052, 4500053, 4500054, 4500055 via cif-deposit CGI script.	4500052.cif