Crystallography Open Database

Information card for entry 7063144

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Coordinates	7063144.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	WF-X
Formula	C36 H47 N4 O4
Calculated formula	C36 H47 N4 O4
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	12.272 ± 0.0002 Å
b	12.5331 ± 0.0002 Å
c	13.7088 ± 0.0002 Å
α	72.235 ± 0.001°
β	66.451 ± 0.001°
γ	65.232 ± 0.001°
Cell volume	1730.9 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0982
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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