Crystallography Open Database

Information card for entry 7206097

7206096 << 7206097 >> 7206098

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Coordinates	7206097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 N O4
Calculated formula	C33 H38.713 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	9.382 ± 0.002 Å
b	10.864 ± 0.003 Å
c	29.571 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3014.1 ± 1.3 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	0.1344
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2281
Weighted residual factors for all reflections included in the refinement	0.2658
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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.	7206097.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206097.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206097.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.	7206097.cif