Crystallography Open Database

Information card for entry 7719051

7719050 << 7719051 >> 7719052

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Coordinates	7719051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H51 N2 P
Calculated formula	C44 H51 N2 P
Title of publication	The investigation of the steric hindrance of anilines by means of reactions with PCl<sub>3</sub> and BCl<sub>3</sub>.
Authors of publication	Němec, Vlastimil; Samsonov, Maksim A.; Růžičková, Zdeňka; Vrána, Jan; Růžička, Aleš
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	31
Pages of publication	11845 - 11856
a	15.2663 ± 0.0006 Å
b	25.263 ± 0.0011 Å
c	9.9566 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3840 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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