Crystallography Open Database

Information card for entry 4518035

Preview

Coordinates	4518035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 N2 O2
Calculated formula	C38 H38 N2 O2
Title of publication	Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides.
Authors of publication	Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	37
Pages of publication	24033 - 24044
a	9.1117 ± 0.0004 Å
b	9.1126 ± 0.0003 Å
c	9.5279 ± 0.0004 Å
α	73.971 ± 0.003°
β	81.252 ± 0.004°
γ	86.515 ± 0.003°
Cell volume	751.36 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0855
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1924
Weighted residual factors for all reflections included in the refinement	0.2076
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
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
257064 (current)	2020-10-04	cif/ Updating files of 4518035, 4518036 Original log message: Adding full bibliography for 4518035--4518036.cif.	4518035.cif
256350	2020-09-12	cif/ Adding structures of 4518035 via cif-deposit CGI script.	4518035.cif