Crystallography Open Database

Information card for entry 1507233

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Structure parameters

Formula	C45 H12 B2 F26 O4
Calculated formula	C45 H12 B2 F26 O4
SMILES	c1(c(cc(cc1F)F)F)C1=[O][B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)OC(c2c(cc(cc2F)F)F)=[O][B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)O1.c1(ccccc1)C
Title of publication	Catalytic Ring-Opening Polymerization of Propylene Oxide by Organoborane and Aluminum Lewis Acids
Authors of publication	Chakraborty, Debashis; Rodriguez, Antonio; Chen, Eugene Y.-X.
Journal of publication	Macromolecules
Year of publication	2003
Journal volume	36
Journal issue	15
Pages of publication	5470
a	13.424 ± 0.002 Å
b	26.445 ± 0.004 Å
c	12.5276 ± 0.0019 Å
α	90°
β	105.431 ± 0.003°
γ	90°
Cell volume	4287 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1507233.cif
176729	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.	1507233.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507233.cif
53761	2012-04-20	cif/ Adding structures of 1507232, 1507233 via cif-deposit CGI script.	1507233.cif