Crystallography Open Database

Information card for entry 1571950

1571949 << 1571950 >> 1571951

Preview

Coordinates	1571950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 O3
Calculated formula	C27 H26 O3
Title of publication	Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.
Authors of publication	Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	30
Pages of publication	11783 - 11793
a	18.6576 ± 0.0009 Å
b	11.7041 ± 0.0005 Å
c	10.0865 ± 0.0003 Å
α	90°
β	102.695 ± 0.004°
γ	90°
Cell volume	2148.75 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293772 (current)	2024-08-05	cif/ Updating files of 1571943, 1571944, 1571945, 1571946, 1571947, 1571948, 1571949, 1571950 Original log message: Adding full bibliography for 1571943--1571950.cif.	1571950.cif
292468	2024-06-20	cif/ Adding structures of 1571943, 1571944, 1571945, 1571946, 1571947, 1571948, 1571949, 1571950 via cif-deposit CGI script.	1571950.cif