Crystallography Open Database

Information card for entry 7248538

Preview

Coordinates	7248538.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3,6,8-Tetra-tert-butyl-4-methoxydibenzofuran
Formula	C29 H42 O2
Calculated formula	C29 H42 O2
SMILES	c1(c(cc(c2c1oc1c(cc(cc21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)OC
Title of publication	Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles
Authors of publication	Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	19
Pages of publication	13463 - 13473
a	5.9326 ± 0.0003 Å
b	16.612 ± 0.0009 Å
c	26.1176 ± 0.0014 Å
α	90°
β	91.059 ± 0.003°
γ	90°
Cell volume	2573.5 ± 0.2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for all reflections	0.1486
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291362 (current)	2024-04-26	cif/ Adding structures of 7248537, 7248538, 7248539, 7248540, 7248541, 7248542, 7248543 via cif-deposit CGI script.	7248538.cif