Crystallography Open Database

Information card for entry 2101603

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C21 H46 N3 O7 P
Calculated formula	C21 H46 N3 O7 P
Title of publication	Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates
Authors of publication	Souhassou, M.; Schaber, P. M.; Blessing, R. H.
Journal of publication	Acta Crystallographica Section B
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	865 - 875
a	16.7042 ± 0.0005 Å
b	24.4881 ± 0.0006 Å
c	6.3891 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2613.49 ± 0.11 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.0391
Goodness-of-fit parameter for significantly intense reflections	1.42
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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