Crystallography Open Database

Information card for entry 3000201

Preview

No preview available: structure is on hold until 2018-11-26

Coordinates	Coordinates are not available: structure is on hold until 2018-11-26

Structure parameters

Formula	C14 H19 N O5
Title of publication	?
Authors of publication	Kinga Roszak; Andrzej Katrusiak
Journal of publication	To be published
a	7.7435 ± 0.0004 Å
b	8.5239 ± 0.0006 Å
c	21.3072 ± 0.001 Å
α	90°
β	93.777 ± 0.004°
γ	90°
Cell volume	1403.32 ± 0.14 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1624
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.