Crystallography Open Database

Information card for entry 7122069

7122068 << 7122069 >> 7122070

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Coordinates	7122069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H59 N4 O8
Calculated formula	C76 H59 N4 O8
Title of publication	Cu-Catalyzed switchable synthesis of functionalized pyridines and pyrroles.
Authors of publication	Ling, Zheng; Xie, Fang; Gridnev, Ilya D.; Terada, Masahiro; Zhang, Wanbin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	68
Pages of publication	9446 - 9449
a	9.8509 ± 0.0003 Å
b	13.4787 ± 0.0004 Å
c	22.2482 ± 0.0007 Å
α	90°
β	96.124 ± 0.002°
γ	90°
Cell volume	2937.2 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1109
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.2505
Weighted residual factors for all reflections included in the refinement	0.2761
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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