Crystallography Open Database

Information card for entry 8106208

Preview

Coordinates	8106208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H50 N4 O7
Calculated formula	C25 H50 N4 O7
Title of publication	Crystal structure of guanidinium tetrabutyl-ammonium 5-hydroxyisophthalate dihydrate, C25H50N4O7
Authors of publication	Liu, Yalin; Li, Qiufang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	537 - 538
a	14.7637 ± 0.0011 Å
b	12.0608 ± 0.0009 Å
c	16.7391 ± 0.0014 Å
α	90°
β	101.086 ± 0.001°
γ	90°
Cell volume	2925 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0657
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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