Crystallography Open Database

Information card for entry 1518401

Preview

Coordinates	1518401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cl N
Calculated formula	C22 H14 Cl N
SMILES	Clc1c2ncc3c(c2ccc1)c1ccccc1C3c1ccccc1
Title of publication	Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.
Authors of publication	Yang, Qin; Xu, Tongyu; Yu, Zhengkun
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	6310 - 6313
a	9.9351 ± 0.0015 Å
b	10.2398 ± 0.0015 Å
c	15.259 ± 0.002 Å
α	90°
β	95.033 ± 0.003°
γ	90°
Cell volume	1546.4 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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