Crystallography Open Database

Information card for entry 7133164

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Coordinates	7133164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N3 O5
Calculated formula	C22 H29 N3 O5
Title of publication	Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.
Authors of publication	Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	54
Pages of publication	6953 - 6956
a	9.6012 ± 0.0007 Å
b	10.4718 ± 0.0006 Å
c	11.4984 ± 0.0009 Å
α	86.861 ± 0.006°
β	70.637 ± 0.007°
γ	79.609 ± 0.005°
Cell volume	1072.78 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0831
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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