Crystallography Open Database

Information card for entry 1559509

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Structure parameters

Formula	C28 H37 N O4
Calculated formula	C28 H37 N O4
SMILES	O1C(=O)Nc2c(C(=O)C[C@H]3[C@@]1(C)[C@@]1([C@H]([C@]4([C@@H](O[C@@H](C=C(C)C)C4)CC1)C)CC3)C)cccc2
Title of publication	l-Tryptophan Induces a Marine-Derived <i>Fusarium</i> sp. to Produce Indole Alkaloids with Activity against the Zika Virus.
Authors of publication	Guo, Yong-Wei; Liu, Xiao-Jing; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Hong, Ming-Jun; Yu, Jian-Chen; Lan, Wen-Jian
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	11
Pages of publication	3372 - 3380
a	6.32712 ± 0.00004 Å
b	17.39284 ± 0.00013 Å
c	21.08445 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	2320.27 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0308
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1559509.cif
259528	2020-12-04	cif/ Updating files of 1559509 Original log message: Adding full bibliography for 1559509.cif.	1559509.cif
259137	2020-11-14	cif/ Adding structures of 1559509 via cif-deposit CGI script.	1559509.cif