Crystallography Open Database

Information card for entry 7123809

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Coordinates	7123809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H75 N O4 Ti
Calculated formula	C51 H75 N O4 Ti
Title of publication	Living polymerization and block copolymerization of alpha-olefins by an amine bis(phenolate) titanium catalyst
Authors of publication	Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt
Journal of publication	Chemical Communications
Year of publication	2001
Journal volume	20
Pages of publication	2120 - 2121
a	19.207 ± 0.0002 Å
b	18.317 ± 0.0002 Å
c	27.265 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9592.2 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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