Crystallography Open Database

Information card for entry 1546219

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Structure parameters

Formula	C28 H41 N O11
Calculated formula	C28 H41 N O11
SMILES	C1Oc2c(cc3c(c2)CCN2[C@@]4([C@H]3[C@@H](C(=C4)OC)OC(=O)[C@](CC(=O)OC)(CCC(C)(C)O)O)CCC2)O1.O.O
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	10.77 ± 0.005 Å
b	15.109 ± 0.007 Å
c	17.72 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2883 ± 2 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	0.0626
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546219.cif
197364	2017-06-05	cif/ Adding structures of 1546219 via cif-deposit CGI script.	1546219.cif