Crystallography Open Database

Information card for entry 8104547

Preview

Coordinates	8104547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N O5
Calculated formula	C14 H13 N O5
Title of publication	Crystal structure of (E)-ethyl 2-((4-oxo-4H-chromen-3-yl)methyleneaminooxy)acetate, C14H13NO5
Authors of publication	Yoo, Miri; Koh, Dongsoo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1135 - 1137
a	4.6967 ± 0.0007 Å
b	10.7175 ± 0.0016 Å
c	12.945 ± 0.002 Å
α	90°
β	94.827 ± 0.008°
γ	90°
Cell volume	649.3 ± 0.17 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
272836 (current)	2022-02-07	cif/ Updating files of 8104547 Original log message: error on DOI corrected	8104547.cif
272835	2022-02-07	cif/ Adding structures of 8104547 via cif-deposit CGI script.	8104547.cif