Crystallography Open Database

Information card for entry 7156363

Preview

Coordinates	7156363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O6
Calculated formula	C18 H19 N O6
Title of publication	2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.
Authors of publication	Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	33
Pages of publication	5965 - 5968
a	9.2351 ± 0.00017 Å
b	14.6347 ± 0.0003 Å
c	25.4336 ± 0.0005 Å
α	90°
β	96.9605 ± 0.0007°
γ	90°
Cell volume	3412.09 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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/7156363.html