Crystallography Open Database

Information card for entry 7060396

Preview

Coordinates	7060396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 N3 O2
Calculated formula	C36 H33 N3 O2
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	11.7931 ± 0.0006 Å
b	14.9063 ± 0.0007 Å
c	16.3539 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2874.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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