Crystallography Open Database

Information card for entry 7132904

Preview

Coordinates	7132904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2 O
Calculated formula	C23 H16 N2 O
Title of publication	Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.
Authors of publication	Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	32
Pages of publication	4294 - 4297
a	12.43235 ± 0.00013 Å
b	12.20419 ± 0.00015 Å
c	11.52302 ± 0.00014 Å
α	90°
β	102.48 ± 0.0011°
γ	90°
Cell volume	1707.04 ± 0.04 Å³
Cell temperature	109 ± 6 K
Ambient diffraction temperature	109 ± 6 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	0.0368
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132904.html