Crystallography Open Database

Information card for entry 1518370

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Structure parameters

Chemical name	3,6-bis(1,1-dimethylethyl)-9-(3-(1,1dimethylethyl)-2-hydroxy-5-methoxyphenyl)- 2-hydroxy-8-methoxydibenzo[b,d]furan
Formula	C65 H82 Cl2 O10
Calculated formula	C65 H82 Cl2 O10
Title of publication	Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes.
Authors of publication	Elsler, B.; Schollmeyer, D.; Waldvogel, S. R.
Journal of publication	Faraday discussions
Year of publication	2014
Journal volume	172
Pages of publication	413 - 420
a	27.352 ± 0.0012 Å
b	10.715 ± 0.0005 Å
c	24.122 ± 0.0013 Å
α	90°
β	121.948 ± 0.0011°
γ	90°
Cell volume	5998.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.077
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1518370.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.	1518370.cif
128158	2014-12-05	cif/ Adding structures of 1518370 via cif-deposit CGI script.	1518370.cif