Crystallography Open Database

Information card for entry 7158685

Preview

Coordinates	7158685.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	avicenine A
Formula	C16 H19 N O5
Calculated formula	C16 H19 N O5
Title of publication	Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.
Authors of publication	Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	20
Pages of publication	4176 - 4182
a	8.5101 ± 0.0003 Å
b	9.0807 ± 0.0003 Å
c	9.5903 ± 0.0003 Å
α	77.657 ± 0.001°
β	83.055 ± 0.001°
γ	88.402 ± 0.001°
Cell volume	718.67 ± 0.04 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.02 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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