Crystallography Open Database

Information card for entry 4339459

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Coordinates	4339459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 O3
Calculated formula	C32 H42 O3
SMILES	c1(c(cc(cc1Cc1c(c(Cc2c(c(cc(c2)C)C(C)(C)C)O)cc(c1)C)OC)C)C(C)(C)C)O
Title of publication	Anisole-diphenoxide ligands and their zirconium dichloride and dialkyl complexes.
Authors of publication	Matsuo, Tsukasa; Kawaguchi, Hiroyuki
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8426 - 8434
a	5.973 ± 0.004 Å
b	25.5 ± 0.015 Å
c	9.858 ± 0.007 Å
α	90°
β	113.752 ± 0.009°
γ	90°
Cell volume	1374.3 ± 1.6 Å³
Cell temperature	173.1 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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