Crystallography Open Database

Information card for entry 7159967

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Coordinates	7159967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cl2 N4
Calculated formula	C20 H14 Cl2 N4
Title of publication	Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine
Authors of publication	Ghosh, Swarnali; Das, Dwaipayan; Mandal, Rahul Dev; Das, Asish R.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	26.7 ± 0.04 Å
b	6.71 ± 0.02 Å
c	22.55 ± 0.04 Å
α	90°
β	92.5 ± 0.09°
γ	90°
Cell volume	4036 ± 15 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.163
Residual factor for significantly intense reflections	0.0978
Weighted residual factors for significantly intense reflections	0.2548
Weighted residual factors for all reflections included in the refinement	0.2683
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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