Crystallography Open Database

Information card for entry 1517847

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Structure parameters

Formula	C23 H26 O5
Calculated formula	C23 H26 O5
SMILES	O(C(=O)C)c1cc2[C@]34OC([C@H]5CC[C@@](Oc2cc1)([C@@]45CCC(=C3)C=O)C)(C)C.O(C(=O)C)c1cc2[C@@]34OC([C@@H]5CC[C@](Oc2cc1)([C@]45CCC(=C3)C=O)C)(C)C
Title of publication	Four New Polycyclic Meroterpenoids from Ganoderma cochlear.
Authors of publication	Peng, Xing-Rong; Liu, Jie-Qing; Wan, Luo-Sheng; Li, Xiao-Nian; Yan, Yu-Xin; Qiu, Ming-Hua
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	5262 - 5265
a	12.5635 ± 0.0006 Å
b	21.3915 ± 0.0009 Å
c	7.2398 ± 0.0004 Å
α	90°
β	99.334 ± 0.004°
γ	90°
Cell volume	1919.95 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2671
Residual factor for significantly intense reflections	0.1731
Weighted residual factors for significantly intense reflections	0.3829
Weighted residual factors for all reflections included in the refinement	0.483
Goodness-of-fit parameter for all reflections included in the refinement	1.729
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1517847.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517847.cif
127244	2014-11-12	cif/ Updating files of 1517847 Original log message: Adding full bibliography for 1517847.cif.	1517847.cif
124339	2014-09-27	cif/ Adding structures of 1517847 via cif-deposit CGI script.	1517847.cif