Crystallography Open Database

Information card for entry 4020414

4020413 << 4020414 >> 4020415

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Coordinates	4020414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H192 N18 O75
Calculated formula	C168 H186 N18 O75.06
Title of publication	Carbamoylmethylphosphinoxide (CMPO) Derivatives Besed on the Triphenylmethyl Skeleton. Synthesis and Extraction Properties
Authors of publication	Valentyn Rudzevich; Dieter Schollmeyer; Damien Braekers; Jean F. Desreux; Romain Diss; Georges Wipff; Volker Böhmer
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	6027 - 6033
a	14.3192 ± 0.0008 Å
b	14.3192 ± 0.0008 Å
c	27.995 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	4971.1 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Weighted residual factors for significantly intense reflections	0.2175
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178382 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/04.	4020414.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4020414.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4020414.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4020414.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4020414.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4020414.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4020414.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4020414.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4020414.cif