Crystallography Open Database

Information card for entry 1519195

1519194 << 1519195 >> 1519196

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Coordinates	1519195.cif
External links	PubChem

Structure parameters

Formula	C19 H17 Cl3
Calculated formula	C19 H17 Cl3
SMILES	ClC1([C@@H](c2ccccc2)[C@@H]1c1ccccc1)/C(=C(\CCl)C)Cl.ClC1([C@H](c2ccccc2)[C@H]1c1ccccc1)/C(=C(\CCl)C)Cl
Title of publication	C19H17Cl3
Authors of publication	Baird, Mark S.; Light, Mark E.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1998
Pages of publication	746
a	12.242 ± 0.002 Å
b	9.89 ± 0.001 Å
c	14.073 ± 0.002 Å
α	90°
β	97.89 ± 0.02°
γ	90°
Cell volume	1687.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.1011
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	0.633
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1519195.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.	1519195.cif
135512	2015-05-05	cif/ Adding structures of 1519195 via cif-deposit CGI script.	1519195.cif