Crystallography Open Database

Information card for entry 7024172

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Structure parameters

Formula	C20 H20 O6
Calculated formula	C20 H20 O6
SMILES	c1(c(cc(C/C=C/Cc2cc(c(c(c2)C=O)O)OC)cc1C=O)OC)O
Title of publication	Olefin metathesis as a tool for multinuclear Co(III)salen catalyst construction: access to cooperative catalysts.
Authors of publication	Haak, Robert M.; Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	593 - 602
a	4.031 ± 0.002 Å
b	12.305 ± 0.007 Å
c	16.759 ± 0.01 Å
α	90°
β	93.249 ± 0.016°
γ	90°
Cell volume	829.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1244
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7024172.cif
179946	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41.	7024172.cif
92224	2014-01-12	cif/ Adding structures of 7024171, 7024172, 7024173 via cif-deposit CGI script.	7024172.cif