Crystallography Open Database

Information card for entry 7203078

7203077 << 7203078 >> 7203079

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Coordinates	7203078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 N4 O4
Calculated formula	C26 H31 N4 O4
Title of publication	Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate
Authors of publication	Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	10
Pages of publication	860
a	11.292 ± 0.006 Å
b	15.112 ± 0.01 Å
c	15.805 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	2697 ± 3 Å³
Cell temperature	298.1 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 significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203078.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203078.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203078.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7203078.cif