Crystallography Open Database

Information card for entry 7060395

Preview

Coordinates	7060395.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	9.215 ± 0.0006 Å
b	13.2112 ± 0.0008 Å
c	13.7823 ± 0.0009 Å
α	113.734 ± 0.0018°
β	105.575 ± 0.0019°
γ	95.9208 ± 0.0019°
Cell volume	1436.49 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.101
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060395.html