Crystallography Open Database

Information card for entry 1547550

Preview

Coordinates	1547550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H65 F N6 O10
Calculated formula	C43 H65 F N6 O10
SMILES	F[C@]1(C(=O)[C@@H]([C@@H](O[C@@H]2O[C@@H](C[C@@H]([C@H]2O)N(C)C)C)[C@](OC)(C[C@@H](C)C(=O)[C@@H]([C@H]2N(C(=O)O[C@@]2([C@H](OC1=O)CC)C)CCCCn1cc(c2cc(ccc2)N)nn1)C)C)C)C
Title of publication	Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin
Authors of publication	Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing
Journal of publication	Organic Process Research & Development
Year of publication	2017
Journal volume	21
Journal issue	9
Pages of publication	1371
a	8.6067 ± 0.0001 Å
b	19.0255 ± 0.0002 Å
c	28.0976 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4600.89 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0397
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201700 (current)	2017-10-05	cif/ Adding structures of 1547550 via cif-deposit CGI script.	1547550.cif