Crystallography Open Database

Information card for entry 1504839

Preview

Coordinates	1504839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H84 O4 Si4
Calculated formula	C54 H84 O4 Si4
Title of publication	Ortho-silylated derivatives of tetrakis(2-hydroxyphenyl)ethene: a sterically isolated structural model for oxo-surface binding domains.
Authors of publication	Chung, Mee-Kyung; Lightbody, Owen C.; Stryker, Jeffrey M.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	17
Pages of publication	3825 - 3828
a	13.769 ± 0.002 Å
b	11.3446 ± 0.0017 Å
c	19.385 ± 0.003 Å
α	90°
β	107.107 ± 0.003°
γ	90°
Cell volume	2894 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1504839.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504839.cif
42406	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504839 via cif-deposit CGI script.	1504839.cif