Crystallography Open Database

Information card for entry 7133891

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Coordinates	7133891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Br N2 P
Calculated formula	C22 H26 Br N2 P
Title of publication	Aminophosphonium organocatalysts for the ring-opening copolymerisation of epoxide and cyclic anhydride.
Authors of publication	Clark, Ella F.; Dunstan, Estelle; Kociok-Köhn, Gabriele; Buchard, Antoine
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	89
Pages of publication	13067 - 13070
a	9.4539 ± 0.0005 Å
b	16.8444 ± 0.0009 Å
c	13.8253 ± 0.0008 Å
α	90°
β	109.865 ± 0.007°
γ	90°
Cell volume	2070.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.9 ± 0.5 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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