Crystallography Open Database

Information card for entry 7156923

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Structure parameters

Formula	C16 H15 N O
Calculated formula	C16 H15 N O
Title of publication	NIS-mediated oxidative arene C(sp<sup>2</sup>)-H amidation toward 3,4-dihydro-2(1H)-quinolinone, phenanthridone, and N-fused spirolactam derivatives.
Authors of publication	Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Wang, Qingmin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	28
Pages of publication	6762 - 6770
a	11.7435 ± 0.0014 Å
b	7.1127 ± 0.0009 Å
c	15.6205 ± 0.0015 Å
α	90°
β	95.141 ± 0.009°
γ	90°
Cell volume	1299.5 ± 0.3 Å³
Cell temperature	294.15 K
Ambient diffraction temperature	294.15 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	0.1112
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156923.cif
225027	2019-11-08	cif/ Updating files of 7156923 Original log message: Adding full bibliography for 7156923.cif.	7156923.cif
216096	2019-06-19	cif/ Adding structures of 7156923 via cif-deposit CGI script.	7156923.cif