Crystallography Open Database

Information card for entry 1508136

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Structure parameters

Common name	none
Formula	C34 H33 B S
Calculated formula	C34 H33 B S
SMILES	S(c1cccc2cccc(c12)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
Title of publication	A bidentate Lewis acid with a telluronium ion as an anion-binding site.
Authors of publication	Zhao, Haiyan; Gabbaï, François P
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	11
Pages of publication	984 - 990
a	15.337 ± 0.002 Å
b	12.0381 ± 0.0016 Å
c	15.458 ± 0.002 Å
α	90°
β	111.115 ± 0.001°
γ	90°
Cell volume	2662.4 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	1508136.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1508136.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.	1508136.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508136.cif
62682	2012-07-09	cif/ Adding structures of 1508136 via cif-deposit CGI script.	1508136.cif