Crystallography Open Database

Information card for entry 1506578

Preview

Coordinates	1506578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 O2 Si
Calculated formula	C25 H38 O2 Si
SMILES	O([Si](C(C)(C)C)(C)C)C(=C\1C[C@@]2(C=O)CCCC[C@@]2(CC1)C)\c1ccccc1.O([Si](C(C)(C)C)(C)C)C(=C\1C[C@]2(C=O)CCCC[C@]2(CC1)C)\c1ccccc1
Title of publication	Control of proton transfer: intramolecular vs intermolecular.
Authors of publication	Zimmerman, Howard E.; Cheng, Jie
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	13
Pages of publication	2595 - 2597
a	6.5285 ± 0.0008 Å
b	10.708 ± 0.0014 Å
c	16.894 ± 0.002 Å
α	101.409 ± 0.002°
β	100.481 ± 0.002°
γ	94.819 ± 0.002°
Cell volume	1129.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1506578.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506578.cif
50420	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506578 via cif-deposit CGI script.	1506578.cif