Crystallography Open Database

Information card for entry 2221498

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Structure parameters

Chemical name	2-(6-diethylamino-3-diethyliminio-3<i>H</i>-xanthen-9-yl)benzoate‒ethyl gallate (1/1)
Formula	C37 H40 N2 O8
Calculated formula	C37 H40 N2 O8
Title of publication	A redetermination of 2-(6-diethylamino-3-diethyliminio-3<i>H</i>-xanthen-9-yl)benzoate‒ethyl gallate (1/1) at room temperature
Authors of publication	Mizuguchi, Jin; Sato, Kazuyuki
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	4
Pages of publication	o701 - o702
a	11.4721 ± 0.0003 Å
b	11.8036 ± 0.0003 Å
c	12.4816 ± 0.0003 Å
α	85.805 ± 0.002°
β	87.202 ± 0.001°
γ	81.973 ± 0.001°
Cell volume	1667.84 ± 0.07 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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