Crystallography Open Database

Information card for entry 7214309

Preview

Coordinates	7214309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 N O
Calculated formula	C23 H15 N O
SMILES	c1(ccccc1)c1c2c(cc(c3ccccc3)n1)c1ccccc1o2
Title of publication	Clean and efficient assembly of functionalized benzofuro[2,3-c]pyridines via metal-free one-pot domino reactions
Authors of publication	Rao, Yin; Li, Zhexian; Yin, Guodong
Journal of publication	Green Chemistry
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	2213
a	22.439 ± 0.005 Å
b	5.3555 ± 0.0011 Å
c	13.393 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1609.5 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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