Crystallography Open Database

Information card for entry 3000124

Preview

No preview available: structure is on hold until 2017-09-19

Coordinates	Coordinates are not available: structure is on hold until 2017-09-19

Structure parameters

Formula	C16.5 H15 N4.5 O3.5
Authors of publication	Mouhri, Zhor Senhaji; Goodfellow, Elliot; Kelley, Steven P.; Stein, Robin; Rogers, Robin D.; Jean-Claude, Bertrand
Journal of publication	To be published in Molecules
a	13.856 ± 0.003 Å
b	4.9842 ± 0.0009 Å
c	23.836 ± 0.005 Å
α	90°
β	100.651 ± 0.006°
γ	90°
Cell volume	1617.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.282
Residual factor for significantly intense reflections	0.1434
Weighted residual factors for significantly intense reflections	0.3046
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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