Crystallography Open Database

Information card for entry 7243268

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Coordinates	7243268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N O5
Calculated formula	C13 H12.5 N O5
Title of publication	Access to 6-hydroxy indolizines and related imidazo[1,5-a]pyridines through the SN2 substitution/condensation/tautomerization cascade process
Authors of publication	Duan, Guiyun; Liu, Hao; Zhang, Liqing; Yuan, Chunhao; Li, Yongchao; Ge, Yanqing
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	41
Pages of publication	25624 - 25627
a	10.1584 ± 0.0002 Å
b	6.6612 ± 0.0002 Å
c	18.5993 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1258.56 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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