Crystallography Open Database

Information card for entry 7209672

7209671 << 7209672 >> 7209673

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Coordinates	7209672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H58 N10 O17
Calculated formula	C62 H58 N10 O17
Title of publication	Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?
Authors of publication	Konar, Anita Dutt
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	2466
a	13.5368 ± 0.0006 Å
b	13.5368 ± 0.0006 Å
c	36.4665 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6682.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.2208
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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