Crystallography Open Database

Information card for entry 4034219

Preview

Coordinates	4034219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2 O
Calculated formula	C20 H14 N2 O
SMILES	O=C1c2c(N(c3ccccc13)C)ccc1c3ccccc3[nH]c21
Title of publication	Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.
Authors of publication	Jin, Ying-Ying; Fang, Qi
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	7
Pages of publication	3832 - 3842
a	15.5365 ± 0.0007 Å
b	15.5527 ± 0.0007 Å
c	25.5575 ± 0.0011 Å
α	76.77 ± 0.001°
β	76.127 ± 0.001°
γ	89.681 ± 0.001°
Cell volume	5828.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1111
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	0.846
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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