Crystallography Open Database

Information card for entry 7124250

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Coordinates	7124250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H73 N2 O0 P Si3
Calculated formula	C52 H73 N2 P Si3
Title of publication	Formation of an NHC-Stabilized Heterocyclic Housane and its Isomerization into a Cyclopentenyl Anion Analogue
Authors of publication	Guddorf, Benedikt J.; Mück-Lichtenfeld, Christian; Hepp, Alexander; Lips, Felicitas
Journal of publication	Chemical Communications
Year of publication	2019
a	12.4344 ± 0.0006 Å
b	14.9016 ± 0.0007 Å
c	16.3149 ± 0.0007 Å
α	89.305 ± 0.001°
β	68.416 ± 0.001°
γ	88.941 ± 0.001°
Cell volume	2810.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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