Crystallography Open Database

Information card for entry 7063141

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Coordinates	7063141.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	WF-3
Formula	C44 H56 N8 O6
Calculated formula	C44 H56 N8 O6
Title of publication	“One-pot” synthesis of oligopyrrolic dialdehydes
Authors of publication	Wang, Fei; Zhang, Yi; Zhou, Wei; Long, Zhiqing; Xiong, Shenglun; Zhang, Qinpeng; Sessler, Jonathan L.; He, Qing
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	18
Pages of publication	8153 - 8157
a	8.6855 ± 0.0007 Å
b	9.154 ± 0.0009 Å
c	13.8725 ± 0.0013 Å
α	105.506 ± 0.006°
β	102.442 ± 0.006°
γ	90.015 ± 0.006°
Cell volume	1035.89 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1331
Residual factor for significantly intense reflections	0.1186
Weighted residual factors for significantly intense reflections	0.2934
Weighted residual factors for all reflections included in the refinement	0.3077
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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