Crystallography Open Database

Information card for entry 7231835

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Coordinates	7231835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 N3 O6
Calculated formula	C25 H31 N3 O6
Title of publication	Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association
Authors of publication	Giri, Rajat Subhra; Mandal, Bhubaneswar
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	236
a	4.96731 ± 0.00012 Å
b	19.4022 ± 0.0005 Å
c	12.4703 ± 0.0003 Å
α	90°
β	92.486 ± 0.003°
γ	90°
Cell volume	1200.72 ± 0.05 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	0.608
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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