Crystallography Open Database

Information card for entry 1546765

Preview

Coordinates	1546765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 N4 O7
Calculated formula	C27 H28 N4 O7
SMILES	[C@]12([C@H]3C=C[C@@H]([C@@H]([C@@H]1[C@H]1CCCC[C@H]1C\2=N\Nc1c(cc(cc1)N(=O)=O)N(=O)=O)O3)OCc1ccccc1)O
Title of publication	Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals
Authors of publication	Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei
Journal of publication	Chem. Sci.
Year of publication	2017
a	5.5338 ± 0.0006 Å
b	16.6117 ± 0.0017 Å
c	26.533 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2439.1 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.052
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
199627 (current)	2017-08-08	cif/ Adding structures of 1546765, 1546766 via cif-deposit CGI script.	1546765.cif