Crystallography Open Database

Information card for entry 7248534

Preview

Coordinates	7248534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 N O8
Calculated formula	C26 H33 N O8
SMILES	O(C)c1c(O)ccc(CCC(=O)/C=C(O)/CCc2cc(OC)c(O)cc2)c1.[O-]C(=O)[C@@H]1[NH2+]CCC1
Title of publication	New solid forms of tetrahydrocurcumin with improved solubility
Authors of publication	Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	24
Pages of publication	3232 - 3239
a	18.37 ± 0.004 Å
b	23.19 ± 0.008 Å
c	5.466 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2328.5 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
292938 (current)	2024-07-05	cif/ Updating files of 7248532, 7248533, 7248534, 7248535, 7248536 Original log message: Adding full bibliography for 7248532--7248536.cif.	7248534.cif
291353	2024-04-26	cif/ Adding structures of 7248532, 7248533, 7248534, 7248535, 7248536 via cif-deposit CGI script.	7248534.cif