Crystallography Open Database

Information card for entry 7239878

Preview

Coordinates	7239878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Cl O5
Calculated formula	C20 H15 Cl O5
Title of publication	Total synthesis of Palmarumycin BGs, C1 and Guignardin E
Authors of publication	Liu, Xinlei; Li, Shuyi; Wei, Xinyu; Zhao, Yu; Lai, Daowan; Zhou, Ligang; Wang, Mingan
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	3
Pages of publication	1588 - 1594
a	8.7889 ± 0.0003 Å
b	10.1048 ± 0.0005 Å
c	8.8667 ± 0.0003 Å
α	90°
β	93.111 ± 0.003°
γ	90°
Cell volume	786.29 ± 0.05 Å³
Cell temperature	114 ± 4 K
Ambient diffraction temperature	114 ± 4 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
258147 (current)	2020-10-06	cif/ Updating files of 7239878 Original log message: Adding full bibliography for 7239878.cif.	7239878.cif
247562	2020-02-04	cif/ Adding structures of 7239878 via cif-deposit CGI script.	7239878.cif