Crystallography Open Database

Information card for entry 1567786

Preview

Coordinates	1567786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 O2
Calculated formula	C15 H20 O2
SMILES	O=C1OC[C@@H]([C@@H]2[C@H]1[C@H]1CC=C(C[C@@H]1C=C2)C)C
Title of publication	Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.
Authors of publication	Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	43
Pages of publication	12776 - 12781
a	5.60939 ± 0.0001 Å
b	10.26643 ± 0.00019 Å
c	22.2551 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1281.64 ± 0.04 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 0.1 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	0.0351
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280169 (current)	2023-01-06	cif/ Updating files of 1567786, 1567787 Original log message: Adding full bibliography for 1567786--1567787.cif.	1567786.cif
278605	2022-10-16	cif/ Adding structures of 1567786, 1567787 via cif-deposit CGI script.	1567786.cif