Crystallography Open Database

Information card for entry 1572693

Preview

Coordinates	1572693.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bowl-type scaffold
Formula	C24 H28 N2 O4
Calculated formula	C24 H28 N2 O4
Title of publication	Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.
Authors of publication	Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	38
Pages of publication	15599 - 15609
a	10.4706 ± 0.0018 Å
b	11.081 ± 0.002 Å
c	18.106 ± 0.003 Å
α	90°
β	97.388 ± 0.004°
γ	90°
Cell volume	2083.3 ± 0.6 Å³
Cell temperature	109 K
Ambient diffraction temperature	109 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	0.1976
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.2437
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295202 (current)	2024-10-06	cif/ Updating files of 1572691, 1572692, 1572693 Original log message: Adding full bibliography for 1572691--1572693.cif.	1572693.cif
294889	2024-09-26	cif/ Adding structures of 1572691, 1572692, 1572693 via cif-deposit CGI script.	1572693.cif