Crystallography Open Database

Information card for entry 1545749

Preview

Coordinates	1545749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 N O9
Calculated formula	C29 H39 N O9
SMILES	N12CCc3c(cc4OCOc4c3)[C@H]3[C@]1(CCC2)C=C(OC)[C@H]3OC(=O)[C@](O)(CC(=O)OC)CCCC(O)(C)C
Title of publication	Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.
Authors of publication	Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	9
Pages of publication	2250 - 2253
a	11.732 ± 0.004 Å
b	15.204 ± 0.005 Å
c	15.864 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2829.7 ± 1.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0932
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1737
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.213
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197487 (current)	2017-06-05	cif/ Updating files of 1545749 Original log message: Adding full bibliography for 1545749.cif.	1545749.cif
195458	2017-04-15	cif/ Adding structures of 1545749 via cif-deposit CGI script.	1545749.cif