Crystallography Open Database

Information card for entry 2007175

2007174 << 2007175 >> 2007176

Preview

Coordinates	2007175.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,1-Dimethyl-4a-pyrolidin-1-yl-2,8b-di-p-tolyl-1,1a,4a,5,6,7,8,8a,8b,8c- decahydro-cis-1a-cis-4a-transoid-8a,8b-transoid-8b,8c-3,3a-diaza-cyclopropa [c]fluoren-4,4-dicarbonitril
Formula	C34 H39 N5
Calculated formula	C34 H39 N5
Title of publication	Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Authors of publication	Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	4
Pages of publication	509 - 513
a	9.2212 ± 0.0004 Å
b	18.0246 ± 0.001 Å
c	17.4099 ± 0.0008 Å
α	90°
β	101.016 ± 0.005°
γ	90°
Cell volume	2840.4 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
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	0.0796
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for all reflections	0.0551
Weighted residual factors for significantly intense reflections	0.0503
Goodness-of-fit parameter for all reflections	0.713
Goodness-of-fit parameter for significantly intense reflections	0.95
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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