Crystallography Open Database

Information card for entry 8106406

Preview

Coordinates	8106406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 Cl3 N4 O4
Calculated formula	C27 H33 Cl3 N4 O4
Title of publication	The crystal structure of 2-(dimethoxymethyl)-4-(4-methylphenyl)-1H-imidazole—petroleum ether-chloroform (3/1), C27H33Cl3N4O4
Authors of publication	Liu, Wan-li; Sui, Hong; She, Gai-mei; Quan, Hai-Yuan; She, Dong-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1079 - 1080
a	7.1343 ± 0.0004 Å
b	22.493 ± 0.001 Å
c	9.7835 ± 0.0004 Å
α	90°
β	106.876 ± 0.005°
γ	90°
Cell volume	1502.37 ± 0.13 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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