Crystallography Open Database

Information card for entry 4135028

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Structure parameters

Formula	C43 H32 P2
Calculated formula	C43 H32 P2
SMILES	P(c1ccccc1)(c1ccccc1)C#Cc1ccc2c(c1)C(C)(c1c2ccc(c1)C#CP(c1ccccc1)c1ccccc1)C
Title of publication	A Smart Phosphine-Diyne Polymer Displays "Turn-on" Emission with a High Selectivity for Gold(I/III) Ions.
Authors of publication	Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	5.9827 ± 0.0008 Å
b	15.686 ± 0.002 Å
c	34.121 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3202.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4135028.cif
252359	2020-05-27	cif/ Adding structures of 4135028 via cif-deposit CGI script.	4135028.cif