Crystallography Open Database

Information card for entry 2011847

2011846 << 2011847 >> 2011848

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Coordinates	2011847.cif
Original IUCr paper	HTML

Structure parameters

Common name	isopteropodine
Chemical name	(1'S,3S,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8', 10',10'a-octahydro -1'-methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f] indolizine]-4'-carboxylic acid methyl ester
Formula	C21 H24 N2 O4
Calculated formula	C21 H24 N2 O4
SMILES	O=C1Nc2c([C@]31[C@H]1N(CC3)C[C@@H]3[C@H](C1)C(=CO[C@H]3C)C(=O)OC)cccc2
Title of publication	Two stereoisomeric pentacyclic oxindole alkaloids from <i>Uncaria tomentosa</i>: uncarine C and uncarine E
Authors of publication	Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	4
Pages of publication	480 - 482
a	10.9943 ± 0.0008 Å
b	21.062 ± 0.003 Å
c	12.3039 ± 0.0015 Å
α	90°
β	96.86 ± 0.006°
γ	90°
Cell volume	2828.7 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.123
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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