Crystallography Open Database

Information card for entry 7156588

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Structure parameters

Formula	C25 H36 O4
Calculated formula	C25 H36 O4
Title of publication	Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors
Authors of publication	Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2018
a	13.288 ± 0.0005 Å
b	6.3903 ± 0.0002 Å
c	14.4021 ± 0.0005 Å
α	90°
β	111.827 ± 0.004°
γ	90°
Cell volume	1135.27 ± 0.08 Å³
Cell temperature	297.99 ± 0.11 K
Ambient diffraction temperature	297.99 ± 0.11 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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