Crystallography Open Database

Information card for entry 7719059

7719058 << 7719059 >> 7719060

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Coordinates	7719059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H63 N
Calculated formula	C57 H63 N
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	12.5898 ± 0.0005 Å
b	15.2776 ± 0.0006 Å
c	25.4281 ± 0.001 Å
α	77.036 ± 0.001°
β	83.952 ± 0.001°
γ	75.989 ± 0.001°
Cell volume	4617.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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