Crystallography Open Database

Information card for entry 8105281

Preview

Coordinates	8105281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Br N2 O4
Calculated formula	C26 H25 Br N2 O4
Title of publication	The crystal structure of 1,3-bis(4-(methoxycarbonyl)benzyl)-2-methyl-1H-benzo[d]imidazol-3-ium bromide, C26H25BrN2O4
Authors of publication	Cai, Bin; Fu, Chun-Yan; Guo, Xin-Yu; Wang, Ying
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	765 - 766
a	9.4202 ± 0.0005 Å
b	9.7871 ± 0.0005 Å
c	15.0135 ± 0.0009 Å
α	106.775 ± 0.003°
β	92.534 ± 0.003°
γ	117.424 ± 0.003°
Cell volume	1150.52 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0464
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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