Crystallography Open Database

Information card for entry 8104713

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Coordinates	8104713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H32 Br N O
Calculated formula	C17 H32 Br N O
Title of publication	The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO
Authors of publication	Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	791 - 793
a	5.344 ± 0.003 Å
b	7.871 ± 0.005 Å
c	23.614 ± 0.015 Å
α	95.99 ± 0.012°
β	95.747 ± 0.012°
γ	98.386 ± 0.012°
Cell volume	970.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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