Crystallography Open Database

Information card for entry 7708778

Preview

Coordinates	7708778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 N8 O
Calculated formula	C30 H24 N8 O
SMILES	O.n12c(ncc2cccc1)C(c1ncc2n1cccc2)C(c1ncc2n1cccc2)c1n2ccccc2cn1
Title of publication	Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides
Authors of publication	Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei
Journal of publication	Dalton Transactions
Year of publication	2021
a	25.4894 ± 0.0009 Å
b	7.8244 ± 0.0003 Å
c	25.578 ± 0.0014 Å
α	90°
β	92.559 ± 0.004°
γ	90°
Cell volume	5096.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7708778.html