Crystallography Open Database

Information card for entry 7108896

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Coordinates	7108896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 N2 O4
Calculated formula	C19 H22 N2 O4
Title of publication	Enantioselective formal synthesis of ent-rhynchophylline and ent-isorhynchophylline
Authors of publication	Mercedes Amat; Carlos Ramos; Maria Perez; Elies Molins; Pedro Florindo; Maria M. M. Santos; Joan Bosch
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	19
Pages of publication	1954 - 1956
a	19.372 ± 0.008 Å
b	6.401 ± 0.003 Å
c	14.653 ± 0.008 Å
α	90°
β	96.56 ± 0.05°
γ	90°
Cell volume	1805.1 ± 1.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1481
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1875
Weighted residual factors for all reflections included in the refinement	0.2214
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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