Crystallography Open Database

Information card for entry 7158428

Preview

Coordinates	7158428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 O2
Calculated formula	C30.004 H28.009 O2
Title of publication	Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.
Authors of publication	Baire, Beeraiah; Santhi, Jampani
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	20
Journal issue	1
Pages of publication	247 - 251
a	8.9341 ± 0.0004 Å
b	10.7311 ± 0.0005 Å
c	12.8284 ± 0.0005 Å
α	73.101 ± 0.002°
β	82.359 ± 0.002°
γ	83.312 ± 0.002°
Cell volume	1162.4 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
272750 (current)	2022-02-04	cif/ Updating files of 7158428, 7158429, 7158430 Original log message: Adding full bibliography for 7158428--7158430.cif.	7158428.cif
270997	2021-12-03	cif/ Adding structures of 7158428, 7158429, 7158430 via cif-deposit CGI script.	7158428.cif