Crystallography Open Database

Information card for entry 7224234

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Structure parameters

Chemical name	421 GASM hydrate
Formula	C15 H17 N2 O9.5
Calculated formula	C15 H17 N2 O9.5
SMILES	c1(cc(c(c(c1)O)O)O)C(=O)O.C1(=O)CCC(=O)N1.C1(=O)CCC(=O)N1.O
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	11.4899 ± 0.0007 Å
b	13.1674 ± 0.0007 Å
c	13.3084 ± 0.001 Å
α	67.527 ± 0.006°
β	67.492 ± 0.007°
γ	64.74 ± 0.006°
Cell volume	1623.5 ± 0.2 Å³
Cell temperature	110 ± 2 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	0.0581
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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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