Crystallography Open Database

Information card for entry 1503678

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Coordinates	1503678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O4
Calculated formula	C17 H19 N O4
SMILES	N12C[C@@H](c3cc4OCOc4cc3C1)[C@]1(O)C=C[C@@H](OC)C[C@H]21
Title of publication	Pancratium canariense as an important source of amaryllidaceae alkaloids.
Authors of publication	Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías
Journal of publication	Journal of natural products
Year of publication	2009
Journal volume	72
Journal issue	1
Pages of publication	112 - 116
a	10.074 ± 0.005 Å
b	10.771 ± 0.003 Å
c	13.494 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1464.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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