Crystallography Open Database

Information card for entry 1507066

Preview

Coordinates	1507066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H69 Cl3 N6 O14.5 Zn3
Calculated formula	C46.5 H69 Cl3.005 N6 O14.5 Zn3
Title of publication	Direct observation of enantioselective synergism at trimetallic centers.
Authors of publication	Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	14
Pages of publication	2453 - 2455
a	15.5481 ± 0.0017 Å
b	26.735 ± 0.003 Å
c	27.74 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11531 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1586
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2239
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176435 (current)	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.	1507066.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507066.cif
51651	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507066 via cif-deposit CGI script.	1507066.cif