Crystallography Open Database

Information card for entry 7113453

Preview

Coordinates	7113453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H94 O16 Si8
Calculated formula	C88 H94 O16 Si8
Title of publication	Preparation and structures of novel silamacrocyclic compounds: silacalix[4]quinone and silacalix[4]hydroquinone octamethyl ether
Authors of publication	Tsutsui, Shinobu; Sakamoto, Kenkichi
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	18
Pages of publication	2322 - 2323
a	24.866 ± 0.004 Å
b	13.099 ± 0.002 Å
c	16.06 ± 0.003 Å
α	90°
β	122.575 ± 0.003°
γ	90°
Cell volume	4408.1 ± 1.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104804
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210454 (current)	2018-09-05	cif/7/ Updating bibliography in entries 7104803-7104804, 7113452-7113453. Marking entries 7113452-7113453 as duplicates of entries 7104803-7104804.	7113453.cif
180248	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113453.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7113453.cif
115073	2014-06-02	cif/ Adding structures of 7113452, 7113453 via cif-deposit CGI script.	7113453.cif