Crystallography Open Database

Information card for entry 1504967

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Structure parameters

Formula	C10 H8 Cl2 O
Calculated formula	C10 H8 Cl2 O
SMILES	ClCC(=O)/C=C(\Cl)c1ccccc1
Title of publication	Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.
Authors of publication	Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	23
Pages of publication	5469 - 5472
a	3.91 ± 0.004 Å
b	24.54 ± 0.02 Å
c	9.892 ± 0.009 Å
α	90°
β	98.276 ± 0.012°
γ	90°
Cell volume	939.3 ± 1.5 Å³
Cell temperature	113.1 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 significantly intense reflections	0.0296
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 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.	1504967.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504967.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504967.cif
42509	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504967, 1504968, 1504969, 1504970 via cif-deposit CGI script.	1504967.cif