Crystallography Open Database

Information card for entry 7715245

Preview

Coordinates	7715245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34
Calculated formula	C31 H34
SMILES	C12C3(c4ccccc4C1(c1ccccc1C2(c1ccccc31)CCC)CCC)CCC
Title of publication	Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene.
Authors of publication	Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	18
Pages of publication	7751 - 7762
a	9.014 ± 0.0004 Å
b	9.3643 ± 0.0003 Å
c	14.785 ± 0.0005 Å
α	99.294 ± 0.003°
β	104.18 ± 0.003°
γ	93.662 ± 0.003°
Cell volume	1187.09 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
293106 (current)	2024-07-05	cif/ Updating files of 7715245, 7715246, 7715247, 7715248, 7715249, 7715250, 7715251 Original log message: Adding full bibliography for 7715245--7715251.cif.	7715245.cif
289970	2024-02-28	cif/ Adding structures of 7715245, 7715246, 7715247, 7715248, 7715249, 7715250, 7715251 via cif-deposit CGI script.	7715245.cif