Crystallography Open Database

Information card for entry 4038727

Preview

Coordinates	4038727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19.44 O3
Calculated formula	C15 H19.444 O3
Title of publication	Total Synthesis of Sieboldine A.
Authors of publication	Shao, Hui; Wang, Yun-Peng; Fang, Kun; Zhao, Yu-Ming; Tu, Yong-Qiang
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	7.9886 ± 0.0002 Å
b	9.9248 ± 0.0002 Å
c	16.34 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1295.52 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.241
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038727.html