Crystallography Open Database

Information card for entry 7243257

Preview

Coordinates	7243257.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	L-Phe.H2O2.0.5H2O
Formula	C9 H14 N O4.5
Calculated formula	C9 H14 N O4.5
Title of publication	Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids
Authors of publication	Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	32
Pages of publication	5456 - 5462
a	9.9671 ± 0.0003 Å
b	7.2 ± 0.0003 Å
c	14.1385 ± 0.0006 Å
α	90°
β	92.803 ± 0.003°
γ	90°
Cell volume	1013.41 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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