Crystallography Open Database

Information card for entry 7157564

Preview

Coordinates	7157564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 N6 O7 S2
Calculated formula	C46 H45 N6 O7 S2
SMILES	S(=O)(=O)(N1[C@@H](CN(S(=O)(=O)c2ccc(cc2)C)Cc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1Cn1nc2nc[nH]c(=O)c2c1)c1ccc(cc1)C
Title of publication	Synthesis of novel homoazanucleosides and their peptidyl analogs.
Authors of publication	Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	29
Pages of publication	5639 - 5651
a	10.295 ± 0.009 Å
b	11.374 ± 0.008 Å
c	36.37 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	4259 ± 6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.3148
Residual factor for significantly intense reflections	0.1246
Weighted residual factors for significantly intense reflections	0.2737
Weighted residual factors for all reflections included in the refinement	0.3622
Goodness-of-fit parameter for all reflections included in the refinement	1
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
255077 (current)	2020-08-06	cif/ Updating files of 7157564, 7157565 Original log message: Adding full bibliography for 7157564--7157565.cif.	7157564.cif
253654	2020-07-02	cif/ Adding structures of 7157564, 7157565 via cif-deposit CGI script.	7157564.cif