Crystallography Open Database

Information card for entry 7233929

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Structure parameters

Chemical name	[(S)-1-benzylpyrrolidin-2-yl)di(naphthalen-1-yl)]methanol
Formula	C32 H29 N O
Calculated formula	C32 H29 N O
SMILES	N1([C@H](C(O)(c2cccc3ccccc23)c2cccc3ccccc23)CCC1)Cc1ccccc1
Title of publication	Electron-transporting phenazinothiadiazoles with engineered microstructure
Authors of publication	Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	9609 - 9612
a	12.726 ± 0.003 Å
b	13.004 ± 0.003 Å
c	14.943 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2472.9 ± 1.1 Å³
Ambient diffraction temperature	296 ± 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	0.1001
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0866
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233929.cif
218419	2019-09-18	cif/ Adding structures of 7233929 via cif-deposit CGI script.	7233929.cif