Crystallography Open Database

Information card for entry 4134365

Preview

Coordinates	4134365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 O6
Calculated formula	C24 H34 O6
SMILES	O1O[C@@]23[C@@H](CC[C@H]4C[C@H](OC(=O)C)CC[C@]14C3)[C@H]1[C@](CC2)([C@@H]2[C@@H](OC(=O)[C@H]2C)C1)C
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	5.7822 ± 0.0005 Å
b	14.207 ± 0.0011 Å
c	26.733 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2196.1 ± 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	0.093
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2093
Weighted residual factors for all reflections included in the refinement	0.227
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4134365.cif
249146	2020-03-07	cif/ Adding structures of 4134365 via cif-deposit CGI script.	4134365.cif