Crystallography Open Database

Information card for entry 7206098

7206097 << 7206098 >> 7206099

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Coordinates	7206098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 N O4
Calculated formula	C33 H38.444 N O4
Title of publication	Photo-induced structural changes in two crystal forms with different numbers of independent molecules
Authors of publication	Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	4332
a	9.3702 ± 0.0013 Å
b	11.016 ± 0.002 Å
c	29.134 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3007.3 ± 0.9 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
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	0.1574
Residual factor for significantly intense reflections	0.1011
Weighted residual factors for significantly intense reflections	0.2707
Weighted residual factors for all reflections included in the refinement	0.3158
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
180391 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60.	7206098.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206098.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206098.cif
23521	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206094, 7206095, 7206096, 7206097, 7206098, 7206099, 7206100, 7206101, 7206102, 7206103, 7206104, 7206105, 7206106, 7206107, 7206108, 7206109 via cif-deposit CGI script.	7206098.cif