Crystallography Open Database

Information card for entry 7719057

7719056 << 7719057 >> 7719058

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Coordinates	7719057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 N2 P
Calculated formula	C36 H35 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	17.1172 ± 0.001 Å
b	19.6438 ± 0.0009 Å
c	17.6044 ± 0.0009 Å
α	90°
β	95.981 ± 0.004°
γ	90°
Cell volume	5887.2 ± 0.5 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	0.0702
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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