Crystallography Open Database

Information card for entry 8105092

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Coordinates	8105092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Br N
Calculated formula	C24 H24 Br N
Title of publication	The crystal structure of 1-benzyl-2-((4-(tert-butyl)phenyl)ethynyl)pyridin-1-ium bromide,C24H24BrN
Authors of publication	Liao, Juan; Zeng, Fei; Ding, Man-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	309 - 310
a	9.875 ± 0.006 Å
b	10.415 ± 0.006 Å
c	20.562 ± 0.012 Å
α	90°
β	98.13 ± 0.007°
γ	90°
Cell volume	2094 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0468
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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