Crystallography Open Database

Information card for entry 7002933

Preview

Coordinates	7002933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H56 O2 P2 Si2
Calculated formula	C28 H56 O2 P2 Si2
SMILES	C1(=C([C@@H](C(C)(C)C)P2P1[C@@H](C(=C2O[Si](C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O[Si](C)(C)C.C1(=C([C@H](C(C)(C)C)P2P1[C@H](C(=C2O[Si](C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O[Si](C)(C)C
Title of publication	A rearrangement of 1,1-linked four-membered rings to bicyclic bridgehead five-membered rings: A phosphorus turn
Authors of publication	Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	47
Pages of publication	10574 - 10580
a	17.172 ± 0.0018 Å
b	17.172 ± 0.0018 Å
c	60.643 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	15486 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
179733 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/29.	7002933.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002933.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002933.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7002933.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002933.cif