Crystallography Open Database

Information card for entry 7248274

Preview

Coordinates	7248274.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol
Formula	C44 H35.33 Cl0.67 O2
Calculated formula	C43.9998 H35.3332 Cl0.6666 O2
Title of publication	Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes
Authors of publication	Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	13
Pages of publication	1862 - 1875
a	23.2834 ± 0.0009 Å
b	23.2834 ± 0.0009 Å
c	12.4263 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6736.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
290884 (current)	2024-04-05	cif/ Updating files of 7248272, 7248273, 7248274 Original log message: Adding full bibliography for 7248272--7248274.cif.	7248274.cif
290290	2024-03-05	cif/ Adding structures of 7248272, 7248273, 7248274 via cif-deposit CGI script.	7248274.cif