Crystallography Open Database

Information card for entry 7720286

7720285 << 7720286 >> 7720287

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Coordinates	7720286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 Ti
Calculated formula	C32 H42 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	10.1447 ± 0.0002 Å
b	10.1649 ± 0.0002 Å
c	13.2164 ± 0.0003 Å
α	90°
β	111.274 ± 0.0008°
γ	90°
Cell volume	1270 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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