Crystallography Open Database

Information card for entry 7105363

Preview

Coordinates	7105363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N2 O
Calculated formula	C25 H24 N2 O
SMILES	O=C(C1N2c3c(CN(c4c(C2)cc(cc4)C)C1)cc(cc3)C)c1ccccc1
Title of publication	Stereoselective synthesis of configurationally stable functionalized ethano-bridged Tröger bases.
Authors of publication	Michon, Christophe; Sharma, Ankit; Bernardinelli, Gérard; Francotte, Eric; Lacour, Jérôme
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	13
Pages of publication	2206 - 2208
a	23.9934 ± 0.001 Å
b	23.9934 ± 0.001 Å
c	6.8262 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3929.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.023
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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