Crystallography Open Database

Information card for entry 7133724

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Coordinates	7133724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H136 N14 Zn2
Calculated formula	C100 H136 N14 Zn2
Title of publication	Zinc catalyzed chemoselective hydrofunctionalization of cyanamides.
Authors of publication	Rajput, Sagrika; Sahoo, Rajata Kumar; M T, Nithya; Nembenna, Sharanappa
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	79
Pages of publication	11148 - 11151
a	12.7981 ± 0.0002 Å
b	26.9412 ± 0.0004 Å
c	13.2296 ± 0.0002 Å
α	90°
β	95.789 ± 0.001°
γ	90°
Cell volume	4538.25 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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