Crystallography Open Database

Information card for entry 7224235

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Structure parameters

Chemical name	221 GASM Act solvate
Formula	C12.5 H14 N O7.5
Calculated formula	C12.5 H14 N O7.5
SMILES	c1(cc(c(c(c1)O)O)O)C(=O)O.C1(=O)CCC(=O)N1.CC(=O)C
Title of publication	A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals
Authors of publication	Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	18
Pages of publication	3191
a	8.2761 ± 0.0004 Å
b	11.6893 ± 0.0006 Å
c	14.7645 ± 0.0007 Å
α	108.269 ± 0.004°
β	97.664 ± 0.004°
γ	101.744 ± 0.004°
Cell volume	1297.75 ± 0.12 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 2 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 all reflections	0.0495
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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