Crystallography Open Database

Information card for entry 1570253

Preview

Coordinates	1570253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 O4
Calculated formula	C16 H20 O4
SMILES	O[C@@H]1C(=CC2=C(C(=O)C=C[C@@]2(C1)C)C)[C@@H](C(=O)OC)C
Title of publication	Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.
Authors of publication	Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	46
Pages of publication	13410 - 13418
a	10.2733 ± 0.0002 Å
b	10.3627 ± 0.0002 Å
c	13.3957 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1426.09 ± 0.05 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0342
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
288742 (current)	2024-01-06	cif/ Updating files of 1570253, 1570254, 1570255, 1570256, 1570257, 1570258, 1570259, 1570260, 1570261, 1570262 Original log message: Adding full bibliography for 1570253--1570262.cif.	1570253.cif
287443	2023-11-07	cif/ Adding structures of 1570253, 1570254, 1570255, 1570256, 1570257, 1570258, 1570259, 1570260, 1570261, 1570262 via cif-deposit CGI script.	1570253.cif