Crystallography Open Database

Information card for entry 1548288

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Structure parameters

Formula	C23 H28 O7
Calculated formula	C23 H28 O7
SMILES	O1[C@H]2[C@H](OC(=O)C)[C@@H]3[C@H](Cc4occc4[C@H]3C(=O)OC)[C@]3(CCC[C@@](C1=O)([C@H]23)C)C
Title of publication	Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.
Authors of publication	Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	12
Pages of publication	3120 - 3127
a	7.764 ± 0.0007 Å
b	10.8733 ± 0.001 Å
c	24.687 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2084.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
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	0.0511
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	3.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1548288.cif
204789	2018-01-06	cif/ Updating files of 1548287, 1548288 Original log message: Adding full bibliography for 1548287--1548288.cif.	1548288.cif
203737	2017-11-29	cif/ Adding structures of 1548288 via cif-deposit CGI script.	1548288.cif