Crystallography Open Database

Information card for entry 7130100

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Coordinates	7130100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H72 N6 Ni
Calculated formula	C84 H72 N6 Ni
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	13.204 ± 0.0001 Å
b	14.0442 ± 0.0001 Å
c	21.9436 ± 0.0002 Å
α	82.844 ± 0.001°
β	73.132 ± 0.001°
γ	85.129 ± 0.001°
Cell volume	3858.71 ± 0.06 Å³
Cell temperature	169.99 ± 0.13 K
Ambient diffraction temperature	169.99 ± 0.13 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	0.0503
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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