Crystallography Open Database

Information card for entry 1572692

Preview

Coordinates	1572692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 Cl2 Fe N7 P3
Calculated formula	C19 H30 Cl2 Fe N7 P3
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	10.9336 ± 0.0004 Å
b	17.7838 ± 0.0005 Å
c	13.0108 ± 0.0004 Å
α	90°
β	102.254 ± 0.003°
γ	90°
Cell volume	2472.19 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0385
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1572692.cif
294889	2024-09-26	cif/ Adding structures of 1572691, 1572692, 1572693 via cif-deposit CGI script.	1572692.cif