Crystallography Open Database

Information card for entry 7160019

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Coordinates	7160019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 Cl2 N2 O2
Calculated formula	C15 H10 Cl2 N2 O2
Title of publication	Trifunctionalization of CC bonds in vinyl azides to access densely functionalized phenanthridines enabled by the NCS/AgNO<sub>2</sub> system.
Authors of publication	Ren, Shaobo; Zhu, Jian; Liu, Yunkui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	29
Pages of publication	5982 - 5986
a	11.088 ± 0.0007 Å
b	6.883 ± 0.0004 Å
c	18.081 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1379.92 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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