Crystallography Open Database

Information card for entry 4120345

4120344 << 4120345 >> 4120346

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Structure parameters

Formula	C24 H19 N3 O2
Calculated formula	C24 H19 N3 O2
Title of publication	Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source
Authors of publication	Xichen Xu; Peter Y. Zavalij; Michael P. Doyle
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12439 - 12447
a	8.2912 ± 0.0007 Å
b	12.8974 ± 0.001 Å
c	9.5837 ± 0.0008 Å
α	90°
β	104.137 ± 0.001°
γ	90°
Cell volume	993.79 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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