Crystallography Open Database

Information card for entry 7225074

Preview

Coordinates	7225074.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	21-deoxymacropodumine D
Formula	C24 H35 N O5
Calculated formula	C24 H35 N O5
SMILES	O=C1[C@@H]2[C@H]3N(C[C@@H]4[C@]([C@H]3O)([C@]31C1=C(CC4)CC[C@@H]1[C@@H](C3)C(=O)OC)C)C[C@H]2C.OC
Title of publication	New alkaloids from Daphniphyllum himalense
Authors of publication	Zhang, Hua; Zhang, Dong-Dong; Li, Jing-Ya; Shyaula, Sajan L.; Li, J.; Yue, Jianmin
Journal of publication	RSC Adv.
Year of publication	2016
a	10.7411 ± 0.0002 Å
b	9.053 ± 0.0002 Å
c	11.5845 ± 0.0002 Å
α	90°
β	93.443 ± 0.001°
γ	90°
Cell volume	1124.43 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.0511
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
182446 (current)	2016-04-30	cif/ Adding structures of 7225074 via cif-deposit CGI script.	7225074.cif