Crystallography Open Database

Information card for entry 7159306

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Coordinates	7159306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 N2 O
Calculated formula	C15 H10 N2 O
Title of publication	Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.
Authors of publication	Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	18
Pages of publication	3881 - 3895
a	12.1137 ± 0.0008 Å
b	9.2789 ± 0.0007 Å
c	21.5088 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2417.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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