Crystallography Open Database

Information card for entry 4024690

Preview

Coordinates	4024690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 Cl O
Calculated formula	C24 H29 Cl O
SMILES	Clc1ccc([C@H](O)[C@H](C=C=C(CC)CCCCC)c2ccccc2)cc1.Clc1ccc([C@@H](O)[C@@H](C=C=C(CC)CCCCC)c2ccccc2)cc1
Title of publication	Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes
Authors of publication	Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	5326 - 5330
a	16.892 ± 0.003 Å
b	5.298 ± 0.0009 Å
c	25.513 ± 0.005 Å
α	90°
β	108.086 ± 0.004°
γ	90°
Cell volume	2170.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1583
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	0.789
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
178425 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/46.	4024690.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024690.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024690.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4024690.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024690.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024690.cif