Crystallography Open Database

Information card for entry 7720288

7720287 << 7720288 >> 7720289

Preview

Coordinates	7720288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Ti
Calculated formula	C28 H38 Ti
Title of publication	Expanding the Reactivity of Rosenthal's Reagent to Cyclopropenes and Allenes
Authors of publication	Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Ruediger
Journal of publication	Dalton Transactions
Year of publication	2026
a	13.9824 ± 0.0005 Å
b	9.1041 ± 0.0003 Å
c	17.9064 ± 0.0007 Å
α	90°
β	108.573 ± 0.0012°
γ	90°
Cell volume	2160.72 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0322
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7720288.html