Crystallography Open Database

Information card for entry 4022745

Preview

Coordinates	4022745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H50 O2
Calculated formula	C33 H50 O2
Title of publication	Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt
Authors of publication	Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	1765 - 1769
a	46.587 ± 0.007 Å
b	5.9312 ± 0.0009 Å
c	10.3447 ± 0.0015 Å
α	90°
β	94.075 ± 0.002°
γ	90°
Cell volume	2851.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178406 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/27.	4022745.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4022745.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4022745.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4022745.cif
430	2008-07-18	Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition.	4022745.cif