Crystallography Open Database

Information card for entry 7104085

Preview

Coordinates	7104085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H42 N2 O Ti
Calculated formula	C32 H51 N2 O Ti
Title of publication	Facile resolution of constrained geometry indenyl-phenoxide ligation.
Authors of publication	Turner, Luke E; Thorn, Matthew G; Fanwick, Phillip E; Rothwell, Ian P
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2003
Journal issue	9
Pages of publication	1034 - 1035
a	10.0202 ± 0.0002 Å
b	13.0802 ± 0.0003 Å
c	22.0926 ± 0.0004 Å
α	90°
β	102.311 ± 0.0013°
γ	90°
Cell volume	2829.01 ± 0.19 Å³
Cell temperature	209 K
Ambient diffraction temperature	209 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Duplicate of	7113881
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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