Crystallography Open Database

Information card for entry 7060399

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Coordinates	7060399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cl N3 O3
Calculated formula	C40 H32 Cl N3 O3
Title of publication	Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles
Authors of publication	Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	11
Pages of publication	5075 - 5080
a	9.596 ± 0.001 Å
b	15.5753 ± 0.0015 Å
c	22.487 ± 0.002 Å
α	90°
β	98.734 ± 0.004°
γ	90°
Cell volume	3321.9 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.1026
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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