Crystallography Open Database

Information card for entry 1576556

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Coordinates	1576556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H38 Cl2 N2 O Pd
Calculated formula	C37 H38 Cl2 N2 O Pd
Title of publication	Room-temperature Suzuki–Miyaura polycondensation of aryl dichloride monomers enabled by “large-but-flexible” Pd-NHC precatalysts
Authors of publication	Feng, Juan-Juan; Guo, Yuman; Song, Qian; Guo, Ze-Cheng; Liu, Feng-Shou
Journal of publication	Polymer Chemistry
Year of publication	2026
Journal volume	17
Journal issue	5
Pages of publication	539 - 550
a	27.2892 ± 0.0001 Å
b	27.5522 ± 0.0002 Å
c	17.8561 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	13425.6 ± 0.13 Å³
Cell temperature	298.61 ± 0.1 K
Ambient diffraction temperature	298.61 ± 0.1 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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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