Crystallography Open Database

Information card for entry 7130102

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Coordinates	7130102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C186 H184 N14 Ni2 O4
Calculated formula	C186 H184 N14 Ni2 O4
Title of publication	1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives
Authors of publication	Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.
Journal of publication	Chemical Communications
Year of publication	2022
a	13.94 ± 0.0003 Å
b	22.0062 ± 0.0003 Å
c	28.7167 ± 0.0004 Å
α	75.192 ± 0.001°
β	78.676 ± 0.001°
γ	86.73 ± 0.001°
Cell volume	8350.7 ± 0.2 Å³
Cell temperature	170 ± 0.16 K
Ambient diffraction temperature	170 ± 0.16 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2231
Goodness-of-fit parameter for all reflections included in the refinement	1.407
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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