Crystallography Open Database

Information card for entry 7250213

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Coordinates	7250213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N3 O2
Calculated formula	C10 H11 N3 O2
Title of publication	Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals
Authors of publication	Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	19
Pages of publication	3095 - 3101
a	9.02963 ± 0.00016 Å
b	5.82382 ± 0.0001 Å
c	9.7226 ± 0.00017 Å
α	90°
β	112.326 ± 0.002°
γ	90°
Cell volume	472.955 ± 0.016 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 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	0.0726
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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