Crystallography Open Database

Information card for entry 7157092

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Coordinates	7157092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N O5
Calculated formula	C27 H23 N O5
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	6.0337 ± 0.0002 Å
b	12.7989 ± 0.0004 Å
c	15.3967 ± 0.0005 Å
α	83.2254 ± 0.0014°
β	79.7254 ± 0.0012°
γ	82.5173 ± 0.0012°
Cell volume	1154.49 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0592
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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