Crystallography Open Database

Information card for entry 7248535

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Coordinates	7248535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 N O8
Calculated formula	C26 H33 N O8
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	20.106 ± 0.004 Å
b	5.4996 ± 0.001 Å
c	23.399 ± 0.005 Å
α	90°
β	114.231 ± 0.005°
γ	90°
Cell volume	2359.4 ± 0.8 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1541
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.1837
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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