Crystallography Open Database

Information card for entry 7063142

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Coordinates	7063142.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	WF-2
Formula	C22 H26 N4 O2
Calculated formula	C22 H26 N4 O2
SMILES	O=Cc1[nH]c(c(c1CC)CC)c1ncnc(c2[nH]c(c(c2CC)CC)C=O)c1
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	29.852 ± 0.015 Å
b	8.3792 ± 0.0016 Å
c	16.947 ± 0.004 Å
α	90°
β	106.99 ± 0.03°
γ	90°
Cell volume	4054 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2199
Residual factor for significantly intense reflections	0.1445
Weighted residual factors for significantly intense reflections	0.3864
Weighted residual factors for all reflections included in the refinement	0.4465
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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