Crystallography Open Database

Information card for entry 1572691

Preview

Coordinates	1572691.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1202_GT_iboga_Wayama
Formula	C27 H34 N2 O5 Si
Calculated formula	C27 H34 N2 O5 Si
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	21.073 ± 0.006 Å
b	6.658 ± 0.002 Å
c	21.467 ± 0.006 Å
α	90°
β	117.635 ± 0.006°
γ	90°
Cell volume	2668.3 ± 1.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2993
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2275
Weighted residual factors for all reflections included in the refinement	0.3378
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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.	1572691.cif
294889	2024-09-26	cif/ Adding structures of 1572691, 1572692, 1572693 via cif-deposit CGI script.	1572691.cif