Crystallography Open Database

Information card for entry 4036972

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Coordinates	4036972.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	eag219.1
Formula	C20 H27 N O4
Calculated formula	C20 H27 N O4
Title of publication	Catalytic Asymmetric Synthesis of Bicycloprolines by a 1,3-Dipolar Cycloaddition/Intramolecular Alkylation Strategy.
Authors of publication	Arpa, Enrique M.; González-Esguevillas, María; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	14
Pages of publication	6128 - 6135
a	30.1898 ± 0.0004 Å
b	6.3221 ± 0.0001 Å
c	21.9555 ± 0.0003 Å
α	90°
β	115.323 ± 0.001°
γ	90°
Cell volume	3787.83 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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