Crystallography Open Database

Information card for entry 8101341

Preview

Coordinates	8101341.cif
External links	ChemSpider; PubChem

Structure parameters

Common name	dimethylamino-spirophosphoran
Formula	C20 H38 N O8 P
Calculated formula	C20 H38 N O8 P
SMILES	P12(OC(C(O1)(C)C)(C)C)(OC(C)(C(C)(O2)C)C)[C@@H](C(=O)OC)[C@H](N(C)C)C(=O)OC.P12(OC(C(O1)(C)C)(C)C)(OC(C)(C(C)(O2)C)C)[C@H](C(=O)OC)[C@@H](N(C)C)C(=O)OC
Title of publication	Crystal structure of 9-benzoyl-5-methoxy-7-phenyl-7-phthalimido-2, 2,3,3-tetramethyl-1,4,6-trioxa-5-phospha(V)spiro[4.4]non-8-en, C~62~H~60~N~2~O~14~P~2~ and of dimethyl 3-(4,4,4',4',5,5,5',5'-octamethyl-1,1',3,3'-tetraoxa- 2-phospha(V)-spiro[4.4]nonanyl)-2(N,N-dimethyl)succinate), C~20~H~38~NO~8~P, two tetraoxaspiro-phosphorane(V) intermediates
Authors of publication	Neuman, Alain; Leroux, Yves; El Manouni, Driss; Prangé, Thierry
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2000
Journal volume	215
Journal issue	4
Pages of publication	539 - 543
a	15.915 ± 0.002 Å
b	15.829 ± 0.002 Å
c	9.955 ± 0.002 Å
α	90 ± 0.03°
β	95.86 ± 0.03°
γ	90 ± 0.03°
Cell volume	2494.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8101341.cif
202018	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8101341.cif
176728	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 8.	8101341.cif
103001	2014-02-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101341.cif
100676	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding volume number.	8101341.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101341.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.	8101341.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.	8101341.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/'	8101341.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8101341.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.	8101341.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)	8101341.cif