Crystallography Open Database

Information card for entry 1552640

Preview

Coordinates	1552640.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Polyervinine
Formula	C43 H46 N4 O10
Calculated formula	C43 H46 N4 O10
SMILES	C12=C(C[C@@]3([C@@H]([C@@H]4[C@@H](c5cc6[C@]78C(=C(C[C@@]9([C@H]%10[C@@H](CN(CC7)[C@H]89)O%10)CC)C(=O)OC)Nc6cc5O4)N4CC[C@@]1(C1=CC(=O)C(=O)C(=C1N2)OC)[C@H]34)O)CC)C(=O)OC
Title of publication	Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.
Authors of publication	Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; 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	4
Pages of publication	850 - 858
a	11.0126 ± 0.0004 Å
b	15.0348 ± 0.0011 Å
c	23.3914 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3873 ± 0.4 Å³
Cell temperature	142 ± 5 K
Ambient diffraction temperature	142 ± 5 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	0.0878
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
222163 (current)	2019-11-04	cif/ Adding structures of 1552640 via cif-deposit CGI script.	1552640.cif