Crystallography Open Database

Information card for entry 7203079

7203078 << 7203079 >> 7203080

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Coordinates	7203079.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cyclo(Phe-Pro-Leu-Aha)
Formula	C26 H44 N4 O7
Calculated formula	C26 H44 N4 O7
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	9.4493 ± 0.0016 Å
b	14.125 ± 0.002 Å
c	21.736 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2901.1 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0768
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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