Crystallography Open Database

Information card for entry 7710535

Preview

Coordinates	7710535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H60 O P2
Calculated formula	C36 H60 O P2
SMILES	P(=O)(Pc1c(C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids
Authors of publication	Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.2606 ± 0.0007 Å
b	10.4141 ± 0.0008 Å
c	30.07 ± 0.002 Å
α	90°
β	99.501 ± 0.005°
γ	90°
Cell volume	3477.9 ± 0.4 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276205 (current)	2022-06-24	cif/ Adding structures of 7710529, 7710530, 7710531, 7710532, 7710533, 7710534, 7710535, 7710536, 7710537, 7710538, 7710539, 7710540, 7710541, 7710542, 7710543, 7710544 via cif-deposit CGI script.	7710535.cif