Crystallography Open Database

Information card for entry 1555549

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Coordinates	1555549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 N
Calculated formula	C21 H15 N
Title of publication	Metal- and Protection-Free [4 + 2] Cycloadditions of Alkynes with Azadienes: Assembly of Functionalized Quinolines.
Authors of publication	Saunthwal, Rakesh K.; Patel, Monika; Verma, Akhilesh K.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	9
Pages of publication	2200 - 2203
a	10.3062 ± 0.0005 Å
b	11.6276 ± 0.0006 Å
c	13.2088 ± 0.0007 Å
α	75.92 ± 0.004°
β	88.72 ± 0.004°
γ	87.09 ± 0.004°
Cell volume	1533.28 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1599
Weighted residual factors for all reflections included in the refinement	0.1848
Goodness-of-fit parameter for all reflections included in the refinement	0.603
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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