Crystallography Open Database

Information card for entry 7228202

Preview

Coordinates	7228202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	234
Chemical name	123
Formula	C22 H28 N2 O3
Calculated formula	C22 H26 N2 O3
SMILES	O[C@]12[C@@]34CC(=C)[C@@H](C[C@@H]4C(=O)[C@]42[C@H]2[C@@](C)([C@H](O)CC4)[C@@H](N(C)[C@H]2C3)C#N)C1
Title of publication	Grandiflodines A and B, two novel diterpenoid alkaloids from Delphinium grandiflorum
Authors of publication	Chen, Neng-Hua; Zhang, Yu-Bo; Li, Wen; Li, Pan; Chen, Li-Feng; Li, Yao-Lan; Li, Guo-Qiang; Wang, Guo-Cai
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	39
Pages of publication	24129
a	9.7305 ± 0.0002 Å
b	8.76406 ± 0.00016 Å
c	11.0765 ± 0.0002 Å
α	90°
β	109.45 ± 0.002°
γ	90°
Cell volume	890.68 ± 0.03 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.03
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
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
196233 (current)	2017-05-05	cif/ Adding structures of 7228202 via cif-deposit CGI script.	7228202.cif