Crystallography Open Database

Information card for entry 7710529

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Coordinates	7710529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 O P
Calculated formula	C30 H39 O P
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)P=O
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	12.2456 ± 0.0002 Å
b	16.9887 ± 0.0003 Å
c	13.3272 ± 0.0002 Å
α	90°
β	100.383 ± 0.0008°
γ	90°
Cell volume	2727.15 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0581
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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