Crystallography Open Database

Information card for entry 1576205

Preview

Coordinates	1576205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H83 K N O8 P
Calculated formula	C52 H83 K N O8 P
Title of publication	Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides
Authors of publication	Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Journal of publication	Chemical Science
Year of publication	2025
a	9.2969 ± 0.0001 Å
b	15.9116 ± 0.0002 Å
c	18.7341 ± 0.0003 Å
α	79.756 ± 0.001°
β	79.904 ± 0.001°
γ	79.803 ± 0.001°
Cell volume	2654.3 ± 0.06 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0433
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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