Crystallography Open Database

Information card for entry 1557901

Preview

Coordinates	1557901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 F9 N O
Calculated formula	C42 H34 F9 N O
Title of publication	Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation
Authors of publication	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	29
Pages of publication	7672 - 7675
a	37.632 ± 0.001 Å
b	14.8891 ± 0.0004 Å
c	13.0219 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7296.3 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257279 (current)	2020-10-06	cif/ Updating files of 1557900, 1557901, 1557902, 1557903, 1557904, 1557905, 1557906, 1557907 Original log message: Adding full bibliography for 1557900--1557907.cif.	1557901.cif
254934	2020-08-06	cif/ Updating files of 1557900, 1557901, 1557902, 1557903, 1557904, 1557905, 1557906, 1557907 Original log message: Adding full bibliography for 1557900--1557907.cif.	1557901.cif
251163	2020-04-25	cif/ Adding structures of 1557900, 1557901, 1557902, 1557903, 1557904, 1557905, 1557906, 1557907 via cif-deposit CGI script.	1557901.cif