Crystallography Open Database

Information card for entry 1505925

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Structure parameters

Formula	C29 H23 Cl3
Calculated formula	C29 H23 Cl3
SMILES	c1(c2ccccc2c(c2ccccc12)c1c(cccc1)C)c1c(cccc1)C.ClC(Cl)Cl
Title of publication	Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.
Authors of publication	Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	7
Pages of publication	1491 - 1494
a	18.1743 ± 0.0016 Å
b	14.9401 ± 0.0013 Å
c	17.2589 ± 0.0015 Å
α	90°
β	95.7046 ± 0.0012°
γ	90°
Cell volume	4663 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
201954 (current)	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.	1505925.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.	1505925.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505925.cif
47857	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505923, 1505924, 1505925 via cif-deposit CGI script.	1505925.cif