Crystallography Open Database

Information card for entry 4129444

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Coordinates	4129444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H68 B2 F8 N14
Calculated formula	C34 H68 B2 F8 N14
Title of publication	Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.
Authors of publication	Nacsa, Eric D.; Lambert, Tristan H.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	32
Pages of publication	10246 - 10253
a	12.4197 ± 0.0009 Å
b	11.8959 ± 0.0008 Å
c	30.718 ± 0.002 Å
α	90°
β	91.8374 ± 0.001°
γ	90°
Cell volume	4536.1 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 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	0.0647
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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