Crystallography Open Database

Information card for entry 1506204

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Structure parameters

Formula	C38 H54 Cl7 N O2 Si
Calculated formula	C38 H54 Cl7 N O2 Si
SMILES	[Cl-].ClC(Cl)Cl.ClC(Cl)Cl.[Si](O)(O)(c1cccc2ccccc12)c1cccc2ccccc12.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Anion recognition by a silanediol-based receptor.
Authors of publication	Kondo, Shin-Ichi; Harada, Tomomi; Tanaka, Ryoji; Unno, Masafumi
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	20
Pages of publication	4621 - 4624
a	13.328 ± 0.007 Å
b	22.154 ± 0.008 Å
c	15.638 ± 0.006 Å
α	90 ± 0.005°
β	108.17 ± 0.006°
γ	90 ± 0.005°
Cell volume	4387 ± 3 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	1.774
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506204.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506204.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506204.cif
48087	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506204 via cif-deposit CGI script.	1506204.cif