Crystallography Open Database

Information card for entry 4028848

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Coordinates	4028848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26.64 N O2
Calculated formula	C22 H26.6439 N O2
Title of publication	Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide
Authors of publication	Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	12397 - 12408
a	8.8277 ± 0.0003 Å
b	7.6317 ± 0.0002 Å
c	14.3944 ± 0.0004 Å
α	90°
β	98.519 ± 0.003°
γ	90°
Cell volume	959.06 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0397
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for all reflections	0.097
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.9969
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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