Crystallography Open Database

Information card for entry 1503754

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Structure parameters

Formula	C22 H21 Cl O
Calculated formula	C22 H21 Cl O
Title of publication	Enantioselective reactions of donor/acceptor carbenoids derived from alpha-aryl-alpha-diazoketones.
Authors of publication	Denton, Justin R.; Davies, Huw M. L.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	787 - 790
a	16.428 ± 0.002 Å
b	6.3139 ± 0.0008 Å
c	18.813 ± 0.002 Å
α	90°
β	106.092 ± 0.002°
γ	90°
Cell volume	1874.9 ± 0.4 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
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.	1503754.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.	1503754.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503754.cif
39047	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503754 via cif-deposit CGI script.	1503754.cif