Crystallography Open Database

Information card for entry 7200715

7200714 << 7200715 >> 7200716

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Coordinates	7200715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N2 O2
Calculated formula	C18 H16 N2 O2
Title of publication	Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal
Authors of publication	Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	1001
a	7.7682 ± 0.0004 Å
b	9.7938 ± 0.0005 Å
c	11.0478 ± 0.0005 Å
α	94.4493 ± 0.0012°
β	104.851 ± 0.0013°
γ	111.495 ± 0.0013°
Cell volume	742.07 ± 0.06 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for all reflections	0.0574
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	0.8852
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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