Crystallography Open Database

Information card for entry 7215564

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Coordinates	7215564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N2 O8
Calculated formula	C24 H28 N2 O8
Title of publication	Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning
Authors of publication	Skovsgaard, Signe; Bond, Andrew D.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	3
Pages of publication	444 - 453
a	7.4937 ± 0.0004 Å
b	10.0957 ± 0.0005 Å
c	15.2981 ± 0.001 Å
α	90°
β	98.025 ± 0.003°
γ	90°
Cell volume	1146.03 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7200228
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218435 (current)	2019-09-18	cif/7/21/55/ Marked entries 7215554-7215564 as duplicates of entries 7200218-7200228.	7215564.cif
218434	2019-09-18	cif/7/21/55/ Updated bibliographic information in entries 7215554-7215564.	7215564.cif
180486	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/55.	7215564.cif
112522	2014-05-02	cif/ Adding structures of 7215554, 7215555, 7215556, 7215557, 7215558, 7215559, 7215560, 7215561, 7215562, 7215563, 7215564 via cif-deposit CGI script.	7215564.cif