Crystallography Open Database

Information card for entry 7710533

Preview

Coordinates	7710533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 B F15 O P
Calculated formula	C36 H31 B F15 O P
SMILES	c1(c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[PH2]=[O][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
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	10.1182 ± 0.0009 Å
b	10.1216 ± 0.0009 Å
c	19.4301 ± 0.0018 Å
α	88.8323 ± 0.0025°
β	82.0559 ± 0.0025°
γ	63.1869 ± 0.0022°
Cell volume	1756.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7710533.cif