Crystallography Open Database

Information card for entry 7159977

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Coordinates	7159977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H23.5 N4 O
Calculated formula	C32.5 H23.5 N4 O
Title of publication	Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights.
Authors of publication	Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	33
Pages of publication	6718 - 6726
a	9.9632 ± 0.0002 Å
b	11.4926 ± 0.0002 Å
c	12.0157 ± 0.0002 Å
α	91.285 ± 0.001°
β	98.94 ± 0.001°
γ	113.264 ± 0.001°
Cell volume	1243.28 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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