Crystallography Open Database

Information card for entry 7246542

Preview

Coordinates	7246542.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole
Formula	C52 H46 N2 O
Calculated formula	C52 H46 N2 O
Title of publication	Host behaviour of two tricyclic fused systems in mixed anisole guest solvents
Authors of publication	Barton, Benita; Trollip, Danica B.; Hosten, Eric C.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	20
Pages of publication	3013 - 3024
a	8.7789 ± 0.0005 Å
b	10.3493 ± 0.0006 Å
c	11.4397 ± 0.0006 Å
α	96.56 ± 0.002°
β	102.11 ± 0.002°
γ	102.726 ± 0.002°
Cell volume	977.14 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
284256 (current)	2023-06-05	cif/ Updating files of 7246542, 7246543, 7246544 Original log message: Adding full bibliography for 7246542--7246544.cif.	7246542.cif
282162	2023-04-01	cif/ Adding structures of 7246542, 7246543, 7246544 via cif-deposit CGI script.	7246542.cif