Crystallography Open Database

Information card for entry 7153520

Preview

Coordinates	7153520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 O5
Calculated formula	C21 H28 O5
SMILES	O=C1O[C@@H]([C@@H](OC(=O)O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)C1)c1ccccc1
Title of publication	Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/
Authors of publication	Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2004
Journal volume	2
Journal issue	13
Pages of publication	1822 - 1824
a	9.685 ± 0.008 Å
b	8.592 ± 0.006 Å
c	23.185 ± 0.013 Å
α	90°
β	92.13 ± 0.03°
γ	90°
Cell volume	1928 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1613
Residual factor for significantly intense reflections	0.1203
Weighted residual factors for significantly intense reflections	0.2872
Weighted residual factors for all reflections included in the refinement	0.3124
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180321 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/35.	7153520.cif
96432	2014-01-29	cif/ Adding structures of 7153520 via cif-deposit CGI script.	7153520.cif