Crystallography Open Database

Information card for entry 7229161

Preview

Coordinates	7229161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H74 N4 O13
Calculated formula	C67 H74 N4 O13
SMILES	Oc1cc(/C=C/c2ccc(O)cc2)cc(O)c1.O.O1COc2c1cc(/C=C/C=C/C(=O)N1CCCCC1)cc2.O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1.O1COc2c1cc(/C=C/C=C/C(=O)N1CCCCC1)cc2.CC#N
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	40.6077 ± 0.0014 Å
b	8.7048 ± 0.0003 Å
c	17.2621 ± 0.0006 Å
α	90°
β	97.184 ± 0.002°
γ	90°
Cell volume	6053.9 ± 0.4 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	0.1354
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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