Crystallography Open Database

Information card for entry 7225293

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Structure parameters

Chemical name	ciclesonide methanol solvate
Formula	C33 H48 O8
Calculated formula	C33 H48 O8
SMILES	O=C1C=C2[C@@](C=C1)(C)[C@@H]1[C@@H](CC2)[C@H]2[C@@](C[C@@H]1O)(C)[C@@]1(O[C@@H](O[C@@H]1C2)C1CCCCC1)C(=O)COC(=O)C(C)C.OC
Title of publication	Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide
Authors of publication	Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong
Journal of publication	RSC Adv.
Year of publication	2016
a	11.0007 ± 0.0011 Å
b	11.0007 ± 0.0011 Å
c	25.559 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3093 ± 0.7 Å³
Cell temperature	386 ± 2 K
Ambient diffraction temperature	386 ± 2 K
Number of distinct elements	3
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225293.cif
183043	2016-05-20	cif/ Adding structures of 7225292, 7225293 via cif-deposit CGI script.	7225293.cif