Crystallography Open Database

Information card for entry 7156740

Preview

Coordinates	7156740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O7
Calculated formula	C20 H24 O7
Title of publication	A divergent strategy to synthesize gabosines featuring a switchable two-way aldol cyclization.
Authors of publication	Yang, Xing; Yuan, Po; Shui, Feng; Zhou, Yuqin; Chen, Xiaochuan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	16
Pages of publication	4061 - 4072
a	8.84318 ± 0.00016 Å
b	8.84318 ± 0.00016 Å
c	47.459 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3711.38 ± 0.13 Å³
Cell temperature	297.71 ± 0.1 K
Ambient diffraction temperature	297.71 ± 0.1 K
Number of distinct elements	3
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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

Version history

Revision	Date	Message	Files
225168 (current)	2019-11-08	cif/ Updating files of 7156740 Original log message: Adding full bibliography for 7156740.cif.	7156740.cif
214309	2019-03-24	cif/ Adding structures of 7156740 via cif-deposit CGI script.	7156740.cif