Crystallography Open Database

Information card for entry 4116262

Preview

Coordinates	4116262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O4
Calculated formula	C19 H18 O4
SMILES	O([C@]1(c2ccccc2)[C@@](OC(=O)C)(c2ccccc2)C1)C(=O)C.O([C@@]1(c2ccccc2)[C@](OC(=O)C)(c2ccccc2)C1)C(=O)C
Title of publication	Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones
Authors of publication	Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	12047 - 12048
a	43.816 ± 0.009 Å
b	5.922 ± 0.002 Å
c	38.178 ± 0.008 Å
α	90°
β	100.53 ± 0.01°
γ	90°
Cell volume	9740 ± 4 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	3.278
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116262.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116262.cif
70843	2013-01-05	cif/ Adding structures of 4116262 via cif-deposit CGI script.	4116262.cif