Crystallography Open Database

Information card for entry 4134366

Preview

Coordinates	4134366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 O7
Calculated formula	C24 H38 O7
SMILES	O[C@]12CC[C@@H](OC(=O)C)C[C@@H]1CC[C@@H]1[C@](O)(CC[C@]3([C@H]1C[C@@H]1OC(=O)[C@H]([C@H]31)C)C)C2.O
Title of publication	Bioinspired Synthesis of Nortriterpenoid Propindilactone G.
Authors of publication	Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	11
Pages of publication	5007 - 5012
a	6.221 ± 0.0004 Å
b	18.4005 ± 0.0011 Å
c	20.3992 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2335.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1384
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
250072 (current)	2020-04-04	cif/ Updating files of 4134365, 4134366 Original log message: Adding full bibliography for 4134365--4134366.cif.	4134366.cif
249147	2020-03-07	cif/ Adding structures of 4134366 via cif-deposit CGI script.	4134366.cif