Crystallography Open Database

Information card for entry 7159056

Preview

Coordinates	7159056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H41 N3 O6
Calculated formula	C42 H41 N3 O6
SMILES	O1[C@@H](N2C(=O)NC(=O)C(=C2)c2cccc3c2cccc3)CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1CO.O(C(=O)C)CC
Title of publication	C5-pyrimidine-functionalized morpholino oligonucleotides exhibit differential binding affinity, target specificity and lipophilicity.
Authors of publication	Das, Arnab; Ghosh, Atanu; Sinha, Surajit
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	6
Pages of publication	1242 - 1253
a	15.094 ± 0.003 Å
b	18.129 ± 0.003 Å
c	14.04 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3841.9 ± 1.1 Å³
Cell temperature	144.98 K
Ambient diffraction temperature	144.98 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7159056.cif
281582	2023-03-04	cif/ Updating files of 7159056 Original log message: Adding full bibliography for 7159056.cif.	7159056.cif
280067	2022-12-31	cif/ Adding structures of 7159056 via cif-deposit CGI script.	7159056.cif