Crystallography Open Database

Information card for entry 7158838

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Coordinates	7158838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N O3
Calculated formula	C16 H15 N O3
Title of publication	Oxidative functionalization of alkylidenecyclopropanes and alkylidenecyclobutanes: a versatile platform to access nitrated cyclopropanes and cyclobutanes
Authors of publication	Zeng, Yao-Fu; Wu, Jin-Bo; Chen, Jin-Tao; Guo, Yu; Wang, Zhen
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2022
a	9.438 ± 0.003 Å
b	11.99 ± 0.003 Å
c	12.647 ± 0.004 Å
α	74.614 ± 0.007°
β	89.797 ± 0.007°
γ	77.565 ± 0.007°
Cell volume	1345.3 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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