Crystallography Open Database

Information card for entry 8107516

Preview

Coordinates	8107516.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-(1'-deoxy-3',5'-O-dibenzy-<i>??</i>-D-ribosyl)adenine'
Chemical name	3-(1'-deoxy-3',5'-O-dibenzy-<i>??</i>-D-ribosyl)adenine
Formula	C49 H52 Cl2 N10 O6
Calculated formula	C49 H52 Cl2 N10 O6
Title of publication	The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6
Authors of publication	Wang, Pingqiao; Zhu, Yunlong; Ding, Haixin; Huang, Haiyang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	635 - 637
a	12.2875 ± 0.0014 Å
b	8.3031 ± 0.001 Å
c	13.1242 ± 0.0015 Å
α	90°
β	100.064 ± 0.001°
γ	90°
Cell volume	1318.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286405 (current)	2023-09-19	cif/ Adding structures of 8107516 via cif-deposit CGI script.	8107516.cif