Crystallography Open Database

Information card for entry 1520761

1520760 << 1520761 >> 1520762

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Structure parameters

Formula	C26 H40 O5
Calculated formula	C26 H40 O5
SMILES	O1[C@H]2C[C@H]3[C@@H]4C[C@@H](OC)[C@@]56[C@H](CC[C@@]6([C@H]4CC[C@@]3([C@H]2[C@H](C)CC1=O)COCOC)C)C5
Title of publication	Concise synthesis of the core structures of saundersiosides.
Authors of publication	Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2346 - 2349
a	7.3909 ± 0.0007 Å
b	12.9276 ± 0.0012 Å
c	25.254 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2412.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0435
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520761.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520761.cif
140049	2015-07-05	cif/ Adding structures of 1520761 via cif-deposit CGI script.	1520761.cif