Crystallography Open Database

Information card for entry 1563994

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Coordinates	1563994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H55 O7 P
Calculated formula	C56 H55 O7 P
Title of publication	Folding and duplex formation in mixed sequence recognition-encoded m-phenylene ethynylene polymers
Authors of publication	Iadevaia, Giulia; Swain, Jonathan A.; Núñez-Villanueva, Diego; Bond, Andrew D.; Hunter, Christopher A.
Journal of publication	Chemical Science
Year of publication	2021
a	24.555 ± 0.0007 Å
b	11.5883 ± 0.0003 Å
c	37.9435 ± 0.001 Å
α	90°
β	108.319 ± 0.0014°
γ	90°
Cell volume	10249.7 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1842
Residual factor for significantly intense reflections	0.1418
Weighted residual factors for significantly intense reflections	0.387
Weighted residual factors for all reflections included in the refinement	0.4299
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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