Crystallography Open Database

Information card for entry 2000335

2000334 << 2000335 >> 2000336

Preview

Coordinates	2000335.cif
Original IUCr paper	HTML

Structure parameters

Formula	C20 H22 N2 O4
Calculated formula	C20 H22 N2 O4
SMILES	N1C(=O)[C@]2(c3ccccc13)CCN1C(=O)/C(=C/C)[C@H](C[C@@H]21)CC(=O)OC.N1C(=O)[C@@]2(c3ccccc13)CCN1C(=O)/C(=C/C)[C@@H](C[C@H]21)CC(=O)OC
Title of publication	Structure of (±)-7(<i>S</i>)-16-deformyl-21-oxogeissoschizine–oxindole
Authors of publication	Lynch, V. M.; Mortimore, M.; Martin, S. F.; Davis, B. E.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	4
Pages of publication	908 - 910
a	10.5052 ± 0.0007 Å
b	16.442 ± 0.002 Å
c	10.3415 ± 0.0008 Å
α	90°
β	95.358 ± 0.006°
γ	90°
Cell volume	1778.4 ± 0.3 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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