Crystallography Open Database

Information card for entry 1506460

Preview

Coordinates	1506460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N2 O6
Calculated formula	C17 H22 N2 O6
Title of publication	Reactivity of Mitsunobu reagent toward carbonyl compounds.
Authors of publication	Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	3
Pages of publication	495 - 498
a	9.0221 ± 0.0009 Å
b	12.5961 ± 0.0012 Å
c	16.13 ± 0.0016 Å
α	83.714 ± 0.002°
β	79.252 ± 0.002°
γ	84.161 ± 0.002°
Cell volume	1783.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506460.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506460.cif
50330	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506460 via cif-deposit CGI script.	1506460.cif