Crystallography Open Database

Information card for entry 1555349

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Structure parameters

Formula	C24 H40 O8
Calculated formula	C24 H40 O8
SMILES	C1(=C[C@H](O)[C@](O)(C[C@@H]1O)C)[C@H]1[C@@H]2C(OC([C@H]2C=C2[C@H]1[C@H](O)[C@](O)(C[C@@H]2O)C)(C)C)(C)C.O
Title of publication	Bisacremines E-G, Three Polycyclic Dimeric Acremines Produced by Acremonium persicinum SC0105.
Authors of publication	Wu, Ping; Xue, Jinghua; Yao, Lei; Xu, Liangxiong; Li, Hanxiang; Wei, Xiaoyi
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	4922 - 4925
a	7.32024 ± 0.00009 Å
b	8.9338 ± 0.0001 Å
c	17.2413 ± 0.0002 Å
α	90°
β	91.3123 ± 0.0012°
γ	90°
Cell volume	1127.24 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	1555349.cif
238529	2019-11-24	cif/ Adding structures of 1555349 via cif-deposit CGI script.	1555349.cif