Crystallography Open Database

Information card for entry 7123349

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Coordinates	7123349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H24 N4
Calculated formula	C44 H24 N4
Title of publication	Planarization of tetracarboxamides. Tuning the self-assembly of polycyclic aromatic hydrocarbons
Authors of publication	Dorca, Yeray; Naranjo, Cristina; Delgado-Martínez, Patricia; Gómez, Rafael; Sanchez, Luis
Journal of publication	Chemical Communications
Year of publication	2019
a	10.3313 ± 0.0006 Å
b	10.8088 ± 0.0006 Å
c	29.7134 ± 0.0018 Å
α	90°
β	93.664 ± 0.001°
γ	90°
Cell volume	3311.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1698
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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