Crystallography Open Database

Information card for entry 1576952

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Coordinates	1576952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 N5
Calculated formula	C30 H25 N5
Title of publication	Ru(ii)-catalyzed regioselective (3 + 2)-annulation of anilines with allenes to access 2-vinylindoles.
Authors of publication	Dash, Om Prakash; Singh, Anurag; Shukla, Rahul K.; Volla, Chandra M. R.
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	12
Pages of publication	5944 - 5952
a	7.9808 ± 0.0005 Å
b	11.7665 ± 0.0009 Å
c	13.3819 ± 0.001 Å
α	89.34 ± 0.006°
β	80.584 ± 0.006°
γ	77.853 ± 0.006°
Cell volume	1211.61 ± 0.15 Å³
Cell temperature	226 ± 30 K
Ambient diffraction temperature	226 ± 30 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	0.1152
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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