Crystallography Open Database

Information card for entry 1569902

Preview

Coordinates	1569902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 O9
Calculated formula	C32 H42 O9
SMILES	C1([C@H]2CC[C@]3([C@H](OC(=O)C)[C@@H]4[C@](OC(=O)C)(C[C@@H]([C@@H]4OC(=O)Cc4ccccc4)C)C(=O)[C@@]([C@@H]2[C@H]1O)(C3)C)O)(C)C
a	8.3664 ± 0.0011 Å
b	14.008 ± 0.002 Å
c	25.247 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2958.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.0886
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
286415 (current)	2023-09-20	cif/ Adding structures of 1569901, 1569902 via cif-deposit CGI script.	1569902.cif