Crystallography Open Database

Information card for entry 1504841

Preview

Coordinates	1504841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.25 H31 N2 O2.25 P
Calculated formula	C29.25 H31 N2 O2.25 P
Title of publication	Dearomatizing anionic cyclization of phosphonamides. A route to phosphonic acid derivatives with antitumor properties.
Authors of publication	Ruiz-Gómez, Gloria; Francesch, Andrés; Iglesias, María José; López-Ortiz, Fernando; Cuevas, Carmen; Serrano-Ruiz, Manuel
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	18
Pages of publication	3981 - 3984
a	11.6003 ± 0.0012 Å
b	13.1387 ± 0.0013 Å
c	19.295 ± 0.002 Å
α	107.273 ± 0.003°
β	93.096 ± 0.003°
γ	109.039 ± 0.003°
Cell volume	2617.2 ± 0.5 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	0.12
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2025
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.	1504841.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504841.cif
42408	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504841 via cif-deposit CGI script.	1504841.cif