Crystallography Open Database

Information card for entry 1555112

Preview

Coordinates	1555112.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Arboridinine
Formula	C19 H22 N2 O
Calculated formula	C19 H22 N2 O
SMILES	C12=Nc3c([C@@]41CCN1C[C@]2(C(=C)[C@]([C@@H]4C)(C1)O)C)cccc3
Title of publication	Arboridinine, a Pentacyclic Indole Alkaloid with a New Cage Carbon-Nitrogen Skeleton Derived from a Pericine Precursor.
Authors of publication	Wong, Suet-Pick; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3628 - 3631
a	7.4987 ± 0.0002 Å
b	12.2482 ± 0.0003 Å
c	16.8063 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1543.58 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.033
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238327 (current)	2019-11-24	cif/ Adding structures of 1555112 via cif-deposit CGI script.	1555112.cif