Crystallography Open Database

Information card for entry 1555458

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Coordinates	1555458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 F6 N6
Calculated formula	C56 H40 F6 N6
Title of publication	Extension of Pyrrolopyrrole π-System: Approach to Constructing Hexacyclic Nitrogen-Containing Aromatic Systems.
Authors of publication	Tasior, Mariusz; Chotkowski, Maciej; Gryko, Daniel T.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	24
Pages of publication	6106 - 6109
a	7.398 ± 0.002 Å
b	11.831 ± 0.003 Å
c	25.874 ± 0.007 Å
α	90°
β	94.823 ± 0.018°
γ	90°
Cell volume	2256.6 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0862
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.184
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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