Crystallography Open Database

Information card for entry 2238909

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Structure parameters

Common name	phloroglucinol tribenzoate
Chemical name	Benzene-1,3,5-triyl tribenzoate
Formula	C27 H18 O6
Calculated formula	C27 H18 O6
Title of publication	Benzene-1,3,5-triyl tribenzoate
Authors of publication	Corfield, Peter W. R.; Balija, Amy M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1822 - o1823
a	23.128 ± 0.005 Å
b	6.332 ± 0.002 Å
c	15.03 ± 0.003 Å
α	90°
β	103.22 ± 0.02°
γ	90°
Cell volume	2142.8 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
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	0.1164
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238909.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238909.cif
92304	2014-01-12	cif/ Adding structures of 2238909 via cif-deposit CGI script.	2238909.cif