Crystallography Open Database

Information card for entry 1505402

Preview

Coordinates	1505402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 B2 F8 I2 O8
Calculated formula	C42 H52 B2 F8 I2 O8
Title of publication	One-pot regioselective synthesis of chromanyl(phenyl)-lambda(3)-iodanes: tandem oxidative cyclization and lambda(3)-iodanation of 3-phenylpropanols.
Authors of publication	Miyamoto, Kazunori; Hirobe, Masaya; Saito, Motomichi; Shiro, Motoo; Ochiai, Masahito
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	10
Pages of publication	1995 - 1998
a	18.7743 ± 0.0003 Å
b	29.9639 ± 0.0006 Å
c	31.9847 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	17993 ± 0.6 Å³
Cell temperature	123.1 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 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.	1505402.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505402.cif
45580	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505402 via cif-deposit CGI script.	1505402.cif