Crystallography Open Database

Information card for entry 7157717

Preview

Coordinates	7157717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N O2
Calculated formula	C15 H11 N O2
SMILES	O(C(=O)c1c2ccccc2nc2c1cccc2)C
Title of publication	Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.
Authors of publication	Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	40
Pages of publication	8141 - 8146
a	3.9404 ± 0.0001 Å
b	16.0925 ± 0.0003 Å
c	9.1575 ± 0.0002 Å
α	90°
β	90.254 ± 0.001°
γ	90°
Cell volume	580.68 ± 0.02 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258963 (current)	2020-11-06	cif/ Updating files of 7157717, 7157718 Original log message: Adding full bibliography for 7157717--7157718.cif.	7157717.cif
256759	2020-09-25	cif/ Adding structures of 7157717, 7157718 via cif-deposit CGI script.	7157717.cif