Crystallography Open Database

Information card for entry 1552703

Preview

Coordinates	1552703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N3 O5
Calculated formula	C15 H23 N3 O5
SMILES	O1[C@@H](n2c(=O)nc(NC(=O)CC(O)(C)C)cc2)CC[C@H](O)[C@H]1C
Title of publication	Pyrimidine Nucleosides from <i>Streptomyces</i> sp. SSA28.
Authors of publication	Xu, Cheng-Dong; Zhang, Hao-Jian; Ma, Zhong-Jun
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	9
Pages of publication	2509 - 2516
a	9.06338 ± 0.00013 Å
b	10.86547 ± 0.00013 Å
c	17.5252 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1725.84 ± 0.04 Å³
Cell temperature	293.68 ± 0.1 K
Ambient diffraction temperature	293.68 ± 0.1 K
Number of distinct elements	4
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	0.0427
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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