Crystallography Open Database

Information card for entry 7122773

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Structure parameters

Chemical name	Compound 1
Formula	C36 H42 Cl3 N O5
Calculated formula	C36 H42 Cl3 N O5
Title of publication	Anti-glioma trichobamide A with an unprecedented tetrahydro-5H-furo[2,3-b]pyrrol-5-one functionality from ascidian-derived fungus Trichobotrys effuse 4729
Authors of publication	Chen, Senhua; Shen, Hongjie; Zhang, Panpan; Cheng, Hongwei; Dai, Xingliang; Liu, Lan
Journal of publication	Chemical Communications
Year of publication	2019
a	15.0461 ± 0.0001 Å
b	28.683 ± 0.0002 Å
c	7.8724 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3397.47 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7122773.cif
212897	2019-01-11	cif/ Adding structures of 7122773 via cif-deposit CGI script.	7122773.cif