Crystallography Open Database

Information card for entry 7133346

Preview

Coordinates	7133346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 N3 Ti
Calculated formula	C30 H31 N3 Ti
Title of publication	Coordination-induced reductive elimination from a titanium(IV) complex.
Authors of publication	Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	68
Pages of publication	9030 - 9033
a	11.5575 ± 0.0002 Å
b	17.8865 ± 0.0003 Å
c	11.9883 ± 0.0002 Å
α	90°
β	103.609 ± 0.001°
γ	90°
Cell volume	2408.68 ± 0.07 Å³
Cell temperature	100.4 ± 0.9 K
Ambient diffraction temperature	100.4 ± 0.9 K
Number of distinct elements	4
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	0.0468
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294438 (current)	2024-09-06	cif/ Updating files of 7133345, 7133346, 7133347, 7133348 Original log message: Adding full bibliography for 7133345--7133348.cif.	7133346.cif
293414	2024-07-16	cif/ Adding structures of 7133345, 7133346, 7133347, 7133348 via cif-deposit CGI script.	7133346.cif