Crystallography Open Database

Information card for entry 7132741

Preview

Coordinates	7132741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4
Calculated formula	C26 H28 N4
Title of publication	Palladium-catalyzed ligand-regulated divergent synthesis of pyrrole[2,3-<i>b</i>]indoles and ureas from 2-ethynylanilines and isocyanides.
Authors of publication	Zhang, Min; Zheng, Yongpeng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	21
Pages of publication	2950 - 2953
a	15.2301 ± 0.0004 Å
b	10.2357 ± 0.0003 Å
c	28.4109 ± 0.0008 Å
α	90°
β	95.828 ± 0.001°
γ	90°
Cell volume	4406.1 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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