Crystallography Open Database

Information card for entry 1504807

Preview

Coordinates	1504807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 O2
Calculated formula	C23 H26 O2
SMILES	O(C(=O)C(C/C=C/c1ccccc1)(C)C(=C\c1ccccc1)/C)CC
Title of publication	Controllable Highly Stereoselective Reaction ofin situGenerated Magnesium Dienolate Intermediates with Different Electrophiles
Authors of publication	Lu, Zhan; Chai, Guobi; Zhang, Xiaobing; Ma, Shengming
Journal of publication	Organic Letters
Year of publication	2008
Journal volume	10
Journal issue	16
Pages of publication	3517
a	8.277 ± 0.0006 Å
b	8.6143 ± 0.0007 Å
c	14.1523 ± 0.0013 Å
α	103.444 ± 0.002°
β	91.662 ± 0.002°
γ	95.1097 ± 0.0019°
Cell volume	976.23 ± 0.14 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	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.	1504807.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504807.cif
42381	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504807 via cif-deposit CGI script.	1504807.cif