Crystallography Open Database

Information card for entry 4034342

Preview

Coordinates	4034342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O2
Calculated formula	C19 H15 N O2
SMILES	O=c1n(Cc2ccccc2)cc2c(oc3ccccc23)c1C
Title of publication	Ru(II)-Catalyzed C-H Activation/Alkylation of 3-Formylbenzofurans with Conjugated Olefins: Product Divergence.
Authors of publication	Srinivas, Kolluru; Siddiqui, Shaziyaparveen K.; Mudaliar, Jyothi K.; Ramana, Chepuri V.
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	9
Pages of publication	5056 - 5066
a	27.2621 ± 0.0007 Å
b	27.2621 ± 0.0007 Å
c	10.2163 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6575.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0636
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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