Crystallography Open Database

Information card for entry 4034381

Preview

Structure parameters

Formula	C16 H10 N2 O2
Calculated formula	C16 H10 N2 O2
SMILES	O1c2c(C(=O)c3[nH]nc(c13)c1ccccc1)cccc2
Title of publication	Substituent-Oriented Synthesis of Substituted Pyrazoles/Chromeno[3,2- c]pyrazoles via Sequential Reactions of Chromones/3-Chlorochromones and Tosylhydrazones.
Authors of publication	Dai, Tianzi; Li, Qunyi; Zhang, Xiaofei; Yang, Chunhao
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	9
Pages of publication	5913 - 5921
a	37.313 ± 0.003 Å
b	37.313 ± 0.003 Å
c	4.8514 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5849.5 ± 0.9 Å³
Cell temperature	297 K
Ambient diffraction temperature	297.01 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 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/4034381.html