Crystallography Open Database

Information card for entry 4327387

Preview

Coordinates	4327387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H46 N O6 P
Calculated formula	C45 H46 N O6 P
Title of publication	Phosphorus-Nitrogen Donor Interaction Leading to Atrane Formation in Phosphate and Oxyphosphorane Compositions. Implications for Phosphoryl Transfer Enzymes1
Authors of publication	Natalya V. Timosheva; A. Chandrasekaran; Robert R. Holmes
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7403 - 7411
a	10.7003 ± 0.0001 Å
b	13.1917 ± 0.0001 Å
c	14.5801 ± 0.0002 Å
α	85.569 ± 0.0005°
β	84.1928 ± 0.0005°
γ	71.5345 ± 0.0005°
Cell volume	1939.85 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0736
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327387.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327387.cif
61158	2012-06-25	cif/ Adding structures of 4327387 via cif-deposit CGI script.	4327387.cif