Crystallography Open Database

Information card for entry 2023587

2023586 << 2023587 >> 2023588

Preview

Coordinates	2023587.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,1-Bis(furan-2-ylmethyl)-3-phenylurea
Formula	C17 H16 N2 O3
Calculated formula	C17 H16 N2 O3
Title of publication	Synthesis and structure of 1,1-bis(furan-2-ylmethyl)-3-phenylurea
Authors of publication	Mertsalov, Dimitriy F.; Schevnikov, Dimitriy M.; Khrustalev, Victor N.; Hökelek, Tuncer; Belay, Alebel N.; Hasanov, Khudayar I.; Mahmudov, Ibadulla H.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	11
a	20.1286 ± 0.0002 Å
b	14.76143 ± 0.00013 Å
c	9.97556 ± 0.00008 Å
α	90°
β	92.8316 ± 0.0008°
γ	90°
Cell volume	2960.39 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306939 (current)	2026-10-02	cif/ Adding structures of 2023587 via cif-deposit CGI script.	2023587.cif