Crystallography Open Database

Information card for entry 7158247

Preview

Coordinates	7158247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 O4
Calculated formula	C34 H28 O4
SMILES	c1(ccc(cc1)OC)C(c1ccc(cc1)OC)=C=C=C=C=C(c1ccc(cc1)OC)c1ccc(cc1)OC
Title of publication	Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.
Authors of publication	Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	35
Pages of publication	7594 - 7597
a	10.913 ± 0.004 Å
b	7.442 ± 0.003 Å
c	16.072 ± 0.005 Å
α	90°
β	101.62 ± 0.03°
γ	90°
Cell volume	1278.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.2178
Residual factor for significantly intense reflections	0.1184
Weighted residual factors for significantly intense reflections	0.2748
Weighted residual factors for all reflections included in the refinement	0.3523
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
269789 (current)	2021-10-06	cif/ Updating files of 7158245, 7158246, 7158247, 7158248, 7158249 Original log message: Adding full bibliography for 7158245--7158249.cif.	7158247.cif
268117	2021-08-18	cif/ Adding structures of 7158245, 7158246, 7158247, 7158248, 7158249 via cif-deposit CGI script.	7158247.cif