Crystallography Open Database

Information card for entry 7113907

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Coordinates	7113907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 O2 Ti
Calculated formula	C49 H46 O2 Ti
Title of publication	Novel, stereoselective tricyclization of a dienyne by titanium aryloxide centers
Authors of publication	Himes, Richard A.; Fanwick, Phillip E.; Rothwell, Ian P.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	1
Pages of publication	18 - 19
a	11.9946 ± 0.0004 Å
b	11.7706 ± 0.0004 Å
c	13.7377 ± 0.0006 Å
α	73.1412 ± 0.0015°
β	77.5151 ± 0.0014°
γ	84.8318 ± 0.0015°
Cell volume	1811.51 ± 0.12 Å³
Cell temperature	149 K
Ambient diffraction temperature	149 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Duplicate of	7103636
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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