Crystallography Open Database

Information card for entry 1552683

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Coordinates	1552683.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Arbophyllinine A
Formula	C19 H22 N2 O3
Calculated formula	C19 H22 N2 O3
SMILES	O1[C@]2([C@@H](O)C)CN3CCc4c([nH]c5c4cccc5)[C@@H]3C[C@@H]2C(=O)C1
Title of publication	A Cytotoxic Indole Characterized by Incorporation of a Unique Carbon-Nitrogen Skeleton and Two Pentacyclic Corynanthean Alkaloids Incorporating a Substituted Tetrahydrofuranone Ring from <i>Kopsia arborea</i>.
Authors of publication	Wong, Soon-Kit; Wong, Suet-Pick; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	7
Pages of publication	1902 - 1907
a	10.1058 ± 0.0004 Å
b	5.4876 ± 0.0002 Å
c	14.6707 ± 0.0005 Å
α	90°
β	91.494 ± 0.003°
γ	90°
Cell volume	813.31 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0342
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222208 (current)	2019-11-04	cif/ Adding structures of 1552683 via cif-deposit CGI script.	1552683.cif