Crystallography Open Database

Information card for entry 1552482

Preview

Coordinates	1552482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 N3 O4
Calculated formula	C26 H29 N3 O4
SMILES	c12ccc3[C@@]4(C([C@@H]5C[C@]67CCCN6C(=O)[C@]5(NC7=O)C4)(C)C)C(=O)Nc3c2C=CC(O1)(C)C
Title of publication	Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L.
Authors of publication	Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2019
Journal volume	67
Journal issue	43
Pages of publication	11994 - 12001
a	7.144 ± 0.0002 Å
b	17.6831 ± 0.0005 Å
c	18.5462 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2342.91 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0472
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223213 (current)	2019-11-04	cif/ Updating files of 1552482 Original log message: Adding full bibliography for 1552482.cif.	1552482.cif
219586	2019-10-28	cif/ Adding structures of 1552482 via cif-deposit CGI script.	1552482.cif