Crystallography Open Database

Information card for entry 7241670

Preview

Coordinates	7241670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N7
Calculated formula	C14 H13 N7
SMILES	n1c(C(Nc2ncccn2)Nc2ncccn2)cccc1
Title of publication	Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals
Authors of publication	Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	66
Pages of publication	40421 - 40427
a	9.591 ± 0.0002 Å
b	9.316 ± 0.0002 Å
c	15.982 ± 0.0003 Å
α	90°
β	97.514 ± 0.001°
γ	90°
Cell volume	1415.73 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for all reflections	0.1565
Weighted residual factors for significantly intense reflections	0.1254
Goodness-of-fit parameter for all reflections	1.034
Goodness-of-fit parameter for significantly intense reflections	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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