Crystallography Open Database

Information card for entry 1520760

1520759 << 1520760 >> 1520761

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Structure parameters

Formula	C22 H36 O3
Calculated formula	C22 H36 O3
SMILES	O([C@H]1[C@@]23[C@H](CC[C@@]3([C@@H]3[C@@H](C1)[C@H]1[C@](CC3)([C@H]([C@H](O)C1)[C@@H](O)C)C)C)C2)C
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	8.1087 ± 0.0006 Å
b	11.9482 ± 0.0009 Å
c	20.232 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1960.2 ± 0.3 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	0.0451
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1520760.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.	1520760.cif
140048	2015-07-05	cif/ Adding structures of 1520760 via cif-deposit CGI script.	1520760.cif