Crystallography Open Database

Information card for entry 1570418

Preview

Coordinates	1570418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H80 O13
Calculated formula	C61 H80 O13
Title of publication	Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.
Authors of publication	He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	4
Pages of publication	1260 - 1270
a	8.6927 ± 0.0009 Å
b	29.467 ± 0.003 Å
c	11.3135 ± 0.0012 Å
α	90°
β	112.393 ± 0.003°
γ	90°
Cell volume	2679.4 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
289410 (current)	2024-02-04	cif/ Updating files of 1570418, 1570419, 1570420, 1570421, 1570422, 1570423, 1570424, 1570425 Original log message: Adding full bibliography for 1570418--1570425.cif.	1570418.cif
287862	2023-11-30	cif/ Adding structures of 1570418, 1570419, 1570420, 1570421, 1570422, 1570423, 1570424, 1570425 via cif-deposit CGI script.	1570418.cif