Crystallography Open Database

Information card for entry 1571150

Preview

Coordinates	1571150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N2 O
Calculated formula	C20 H22 N2 O
SMILES	O1Cn2c3ccccc3c(c2CN(C1)[C@H](C)c1ccccc1)C
Title of publication	A multicomponent reaction for modular assembly of indole-fused heterocycles
Authors of publication	Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5211 - 5217
a	8.3944 ± 0.0008 Å
b	9.3978 ± 0.0008 Å
c	20.419 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1610.8 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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