Crystallography Open Database

Information card for entry 3000601

Preview

No preview available: structure is on hold until 2026-05-31

Coordinates	Coordinates are not available: structure is on hold until 2026-05-31

Structure parameters

Formula	C17 H20 N2 O3
Authors of publication	Borah, Silpi S.; Das, Kaustav; Ichiyanagi, Kouhei; Reddy, C. Malla; Sasaki, Toshiyuki; Nath, Naba K.
Journal of publication	To be published
a	16.5761 ± 0.0015 Å
b	10.5388 ± 0.0007 Å
c	8.9139 ± 0.0005 Å
α	90°
β	93.401 ± 0.007°
γ	90°
Cell volume	1554.4 ± 0.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.81022 Å
Diffraction radiation type	synchrotron
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.