Crystallography Open Database

Information card for entry 7135039

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Coordinates	7135039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H61 N O3
Calculated formula	C57 H61 N O3
Title of publication	Mechanochemically controllable synthesis of mono- or di-alkenylated indolizines.
Authors of publication	Yu, Yue; Guan, Ning; Zhao, Chunying; Cao, Hua; Ma, Yan-Long
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	86
Pages of publication	16834 - 16837
a	11.4318 ± 0.0011 Å
b	11.308 ± 0.0009 Å
c	18.3289 ± 0.0016 Å
α	90°
β	93.843 ± 0.009°
γ	90°
Cell volume	2364.1 ± 0.4 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.111
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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