Crystallography Open Database

Information card for entry 7133155

Preview

Coordinates	7133155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 Cl2 N O13
Calculated formula	C51 H39 Cl2 N O13
Title of publication	Total Synthesis of 1,4a-di-epi-ent-Pancratistatin, Exemplifying a Stereodivergent Approach to Pancratistatin Isomers
Authors of publication	Sun, Chunzhao; Inokuma, Tsubasa; Tsuji, Daisuke; Yamaoka, Yousuke; Akagi, Reiko; Yamada, Ken-ichi
Journal of publication	Chemical Communications
Year of publication	2024
a	10.8258 ± 0.0001 Å
b	13.1828 ± 0.0002 Å
c	15.3126 ± 0.0002 Å
α	90°
β	79.363 ± 0.001°
γ	90°
Cell volume	2147.78 ± 0.05 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133155.html