Crystallography Open Database

Information card for entry 4026493

Preview

Coordinates	4026493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.63 H60.69 N8.315 O31.87
Calculated formula	C46.63 H54 N8.315 O31.87
Title of publication	A Chemoenzymatic Total Synthesis of (+)-Clividine
Authors of publication	Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	6250 - 6257
a	8.659 ± 0.0002 Å
b	35.4747 ± 0.0009 Å
c	9.0925 ± 0.0002 Å
α	90°
β	101.107 ± 0.0012°
γ	90°
Cell volume	2740.68 ± 0.11 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0704
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections	0.1098
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026493.html