Crystallography Open Database

Information card for entry 1553328

Preview

Coordinates	1553328.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Evoxanthin
Formula	C16 H13 N O4
Calculated formula	C16 H13 N O4
Title of publication	Carbazole-, Aspidofractinine-, and Aspidocarpamine-Type Alkaloids from Pleiocarpa pycnantha.
Authors of publication	Ndongo, Joseph T.; Mbing, Joséphine N; Monteillier, Aymeric; Tala, Michel F.; Rütten, Michael; Mombers, Daniel; Cuendet, Muriel; Pegnyemb, Dieudonné E; Dittrich, Birger; Laatsch, Hartmut
Journal of publication	Journal of natural products
Year of publication	2018
Journal volume	81
Journal issue	5
Pages of publication	1193 - 1202
a	7.4572 ± 0.0008 Å
b	8.9283 ± 0.001 Å
c	18.5642 ± 0.0019 Å
α	90°
β	92.91 ± 0.03°
γ	90°
Cell volume	1234.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.868
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	1553328.cif
234109	2019-11-23	cif/ Adding structures of 1553328 via cif-deposit CGI script.	1553328.cif