Crystallography Open Database

Information card for entry 7229164

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Structure parameters

Formula	C48 H56 N2 O12
Calculated formula	C48 H56 N2 O12
SMILES	O.O1COc2c1cc(/C=C/C=C/C(=O)N1CCCCC1)cc2.O.O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.O1c2c(cc(/C=C/C=C/C(=O)N3CCCCC3)cc2)OC1
Title of publication	Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals
Authors of publication	He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2017
a	21.6976 ± 0.0007 Å
b	7.7355 ± 0.0003 Å
c	26.0438 ± 0.0009 Å
α	90°
β	93.278 ± 0.002°
γ	90°
Cell volume	4364.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1819
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7229164.cif
200867	2017-09-14	cif/ Adding structures of 7229161, 7229162, 7229163, 7229164 via cif-deposit CGI script.	7229164.cif