Crystallography Open Database

Information card for entry 8107653

Preview

Coordinates	8107653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 N O6
Calculated formula	C34 H37 N O6
SMILES	O(Cc1ccccc1)[C@@H](/C=N/O)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
Title of publication	Crystal structure of (2S,3S,4S,5S, Z)-2,3,5,6-tetrakis(benzyloxy)-4-hydroxyhexanal oxime, C34H37NO6
Authors of publication	Zhang, Nuo; Guo, Shuo-Nan; Du, Liang-Qi; Ren, Xiao-Yu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1035 - 1037
a	6.398 ± 0.006 Å
b	10.779 ± 0.01 Å
c	12.03 ± 0.011 Å
α	71.103 ± 0.01°
β	89.519 ± 0.011°
γ	74.154 ± 0.011°
Cell volume	752.2 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	1.248
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287725 (current)	2023-11-22	cif/ Adding structures of 8107653 via cif-deposit CGI script.	8107653.cif