Crystallography Open Database

Information card for entry 4101926

4101925 << 4101926 >> 4101927

Preview

Coordinates	4101926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Fe O P
Calculated formula	C20 H23 Fe O P
SMILES	[Fe]123456789P%10[C]4(=[C]43[C]2(=[C]1%10CC(=CC[c]15[cH]9[cH]8[cH]7[cH]61)C)COC4)CC(=C)C
Title of publication	Enantioselective Synthesis of Planar-Chiral Phosphaferrocenes by Molybdenum-Catalyzed Asymmetric Interannular Ring-Closing Metathesis
Authors of publication	Masamichi Ogasawara; Susumu Watanabe; Kiyohiko Nakajima; Tamotsu Takahashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2136 - 2137
a	7.4212 ± 0.0002 Å
b	9.9724 ± 0.0003 Å
c	23.8171 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1762.64 ± 0.08 Å³
Cell temperature	298.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4101926.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101926.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101926.cif
24745	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101926 via cif-deposit CGI script.	4101926.cif