Crystallography Open Database

Information card for entry 1567158

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Coordinates	1567158.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NDI-C6
Formula	C26 H30 N2 O4
Calculated formula	C26 H30 N2 O4
Title of publication	On the crystal forms of NDI-C6: annealing and deposition procedures to access elusive polymorphs.
Authors of publication	de Oliveira Martins, Inês; Marin, Francesco; Modena, Enrico; Maini, Lucia
Journal of publication	Faraday discussions
Year of publication	2022
Journal volume	235
Journal issue	0
Pages of publication	490 - 507
a	4.85556 ± 0.00006 Å
b	6.47166 ± 0.00007 Å
c	19.94656 ± 0.00013 Å
α	92.1464 ± 0.0013°
β	95.834 ± 0.002°
γ	104.227 ± 0.0012°
Cell volume	603.153 ± 0.011 Å³
Cell temperature	327 K
Ambient diffraction temperature	327 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 R(I) for significantly intense reflections	0.0035
Goodness-of-fit parameter for all reflections	2.80799
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.999961 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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