Crystallography Open Database

Information card for entry 7020413

7020412 << 7020413 >> 7020414

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Coordinates	7020413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N2 Sn
Calculated formula	C28 H24 N2 Sn
SMILES	[Sn]1N(c2ccccc2)c2cc3ccc2CCc2cc(N1c1ccccc1)c(cc2)CC3
Title of publication	A planar chiral [2.2]paracyclophane derived N-heterocyclic stannylene.
Authors of publication	Piel, Isabel; Dickschat, Julia V.; Pape, Tania; Hahn, F. Ekkehardt; Glorius, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	45
Pages of publication	13788 - 13790
a	11.6317 ± 0.0003 Å
b	10.492 ± 0.0003 Å
c	17.6728 ± 0.0005 Å
α	90°
β	93.7083 ± 0.0004°
γ	90°
Cell volume	2152.27 ± 0.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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