Crystallography Open Database

Information card for entry 7155348

Preview

Coordinates	7155348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H25 Br O5
Calculated formula	C70 H25.5 Br O5
Title of publication	Synthesis of different types of alkoxy fullerene derivatives from chlorofullerene C60Cl6.
Authors of publication	Khakina, Ekaterina A.; Kraevaya, Ol'ga A.; Popova, Maria L.; Peregudov, Alexander S.; Troyanov, Sergey I.; Chernyak, Alexander V.; Martynenko, Vyacheslav M.; Kulikov, Alexander V.; Schols, Dominique; Troshin, Pavel A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	4
Pages of publication	773 - 777
a	19.765 ± 0.001 Å
b	17.35 ± 0.001 Å
c	24.003 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8231.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.2131
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2425
Weighted residual factors for all reflections included in the refinement	0.2686
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.88561 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
191733 (current)	2017-02-04	cif/ Updating files of 7155348 Original log message: Adding full bibliography for 7155348.cif.	7155348.cif
187769	2016-11-02	cif/ Adding structures of 7155348 via cif-deposit CGI script.	7155348.cif