Crystallography Open Database

Information card for entry 3000655

Preview

No preview available: structure is on hold until 2027-09-30

Coordinates	Coordinates are not available: structure is on hold until 2027-09-30

Structure parameters

Formula	C20 H24 N2 O4 S Se
Authors of publication	Natori, Yoshihiro
Journal of publication	To be published in Molecules
a	8.9687 ± 0.0012 Å
b	14.6864 ± 0.0019 Å
c	15.587 ± 0.002 Å
α	90°
β	102.49 ± 0.001°
γ	90°
Cell volume	2004.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.