Crystallography Open Database

Information card for entry 7229162

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Structure parameters

Formula	C50 H55 N3 O10
Calculated formula	C50 H55 N3 O10
SMILES	O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1.O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.O.N#CC
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	58.8257 ± 0.001 Å
b	8.8831 ± 0.0001 Å
c	17.2873 ± 0.0003 Å
α	90°
β	100.318 ± 0.001°
γ	90°
Cell volume	8887.5 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7229162.cif
200867	2017-09-14	cif/ Adding structures of 7229161, 7229162, 7229163, 7229164 via cif-deposit CGI script.	7229162.cif