Crystallography Open Database

Information card for entry 7157094

Preview

Coordinates	7157094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N O6
Calculated formula	C24 H29 N O6
Title of publication	Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts.
Authors of publication	Kurian, Jais; M, Muraleedharan Kannoth
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	39
Pages of publication	8832 - 8848
a	9.932 ± 0.0003 Å
b	12.9438 ± 0.0004 Å
c	18.2127 ± 0.0004 Å
α	90°
β	92.2716 ± 0.0014°
γ	90°
Cell volume	2339.55 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0758
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
225113 (current)	2019-11-08	cif/ Updating files of 7157092, 7157093, 7157094 Original log message: Adding full bibliography for 7157092--7157094.cif.	7157094.cif
218520	2019-09-19	cif/ Adding structures of 7157092, 7157093, 7157094 via cif-deposit CGI script.	7157094.cif