Crystallography Open Database

Information card for entry 1516664

Preview

Coordinates	1516664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 N
Calculated formula	C22 H17 N
SMILES	n1c(c2ccccc2c(c1c1ccccc1)c1ccccc1)C
Title of publication	Rh-catalyzed sequential oxidative C-h and N-N bond activation: conversion of azines into isoquinolines with air at room temperature.
Authors of publication	Han, Wenjia; Zhang, Guoying; Li, Guangxing; Huang, Hanmin
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	13
Pages of publication	3532 - 3535
a	16.4531 ± 0.0009 Å
b	12.9636 ± 0.0006 Å
c	15.6226 ± 0.0009 Å
α	90°
β	102.578 ± 0.006°
γ	90°
Cell volume	3252.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1102
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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