Crystallography Open Database

Information card for entry 4110459

Preview

Coordinates	4110459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H62 O12 P3 Se3
Calculated formula	C73 H62 O12 P3 Se3
Title of publication	Alkylation of Inorganic Oxo Compounds and Insights on Preventing DNA Damage
Authors of publication	Elizabeth E. Hamilton; Phillip E. Fanwick; Jonathan J. Wilker
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	3388 - 3395
a	11.2388 ± 0.0006 Å
b	14.2154 ± 0.001 Å
c	22.1303 ± 0.0011 Å
α	79.479 ± 0.004°
β	82.355 ± 0.003°
γ	67.324 ± 0.004°
Cell volume	3199.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178875 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/04.	4110459.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110459.cif
59258	2012-06-05	cif/ Adding structures of 4110459 via cif-deposit CGI script.	4110459.cif