Crystallography Open Database

Information card for entry 7018654

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Coordinates	7018654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 N6 O4
Calculated formula	C23 H24 N6 O4
Title of publication	Chelation-controlled molecular morphology: aminal to imine rearrangements.
Authors of publication	Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	15
Pages of publication	4335 - 4357
a	9.216 ± 0.0018 Å
b	13.813 ± 0.003 Å
c	17.342 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2207.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.76999 Å
Diffraction radiation type	synchrotronradiation
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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