Crystallography Open Database

Information card for entry 7133213

Preview

Coordinates	7133213.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	9-phosphatriptycene selenide
Chemical name	9-phosphatriptycene selenide
Formula	C19 H13 P Se
Calculated formula	C19 H13 P Se
Title of publication	Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.
Authors of publication	Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
a	14.0369 ± 0.0005 Å
b	13.6803 ± 0.0005 Å
c	15.7202 ± 0.0005 Å
α	90°
β	90.789 ± 0.001°
γ	90°
Cell volume	3018.45 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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