Crystallography Open Database

Information card for entry 7134415

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Coordinates	7134415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N2 O2
Calculated formula	C28 H30 N2 O2
Title of publication	Dearomative 1,6-enyne cycloisomerization of alkyne-tethered benzofurans and indoles via a 6-endo-dig cyclization
Authors of publication	Lu, Jin-Bo; Wang, Yi-Fan; Xu, Xue-Ting; Wang, Bing-Xia; Liang, Ren-Xiao; Jia, Yi-Xia
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	42
Pages of publication	7616 - 7619
a	12.3912 ± 0.0006 Å
b	11.2049 ± 0.0006 Å
c	16.6414 ± 0.0009 Å
α	90°
β	91.031 ± 0.002°
γ	90°
Cell volume	2310.2 ± 0.2 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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