Crystallography Open Database

Information card for entry 7238895

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Coordinates	7238895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H45 N7 O3
Calculated formula	C49 H45 N7 O3
Title of publication	Regioselective [5 + 1] rearrangement‒annulation: a new and efficient domino route to highly functionalized [1,6]naphthyridines
Authors of publication	Tu, Man-Su; Li, Ying; Wang, Xiang; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	12
Pages of publication	3877
a	13.4391 ± 0.0015 Å
b	13.64 ± 0.0017 Å
c	14.3996 ± 0.0018 Å
α	107.046 ± 0.001°
β	103.576 ± 0.001°
γ	114.569 ± 0.002°
Cell volume	2093.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1898
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.2303
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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