Crystallography Open Database

Information card for entry 7157521

Preview

Coordinates	7157521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.67 H6.33 N O
Calculated formula	C5.66667 H6.33333 N O
Title of publication	Organocatalytic enone-azide [3 + 2]-cycloaddition: synthesis of functionally rich C/N-double vinyl 1,2,3-triazoles.
Authors of publication	Surendra Reddy, G.; Suresh Kumar, A.; Ramachary, Dhevalapally B.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	23
Pages of publication	4470 - 4478
a	7.2978 ± 0.0006 Å
b	8.2873 ± 0.0008 Å
c	14.1639 ± 0.0013 Å
α	97.85 ± 0.004°
β	94.308 ± 0.003°
γ	110.859 ± 0.003°
Cell volume	785.86 ± 0.12 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	0.0465
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257922 (current)	2020-10-06	cif/ Updating files of 7157520, 7157521, 7157522 Original log message: Adding full bibliography for 7157520--7157522.cif.	7157521.cif
253988	2020-07-06	cif/ Updating files of 7157520, 7157521, 7157522 Original log message: Adding full bibliography for 7157520--7157522.cif.	7157521.cif
252431	2020-05-28	cif/ Adding structures of 7157520, 7157521, 7157522 via cif-deposit CGI script.	7157521.cif