Crystallography Open Database

Information card for entry 7719056

7719055 << 7719056 >> 7719057

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Coordinates	7719056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H56 B Cl2 N
Calculated formula	C51 H56 B Cl2 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	26.115 ± 0.004 Å
b	14.884 ± 0.003 Å
c	23.881 ± 0.005 Å
α	90°
β	107.714 ± 0.006°
γ	90°
Cell volume	8842 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1568
Residual factor for significantly intense reflections	0.0968
Weighted residual factors for significantly intense reflections	0.274
Weighted residual factors for all reflections included in the refinement	0.3231
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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