Crystallography Open Database

Information card for entry 1503710

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Structure parameters

Formula	C27 H27 N
Calculated formula	C27 H27 N
SMILES	N12c3c4cccc3C(c3cccc(c13)C(c1cccc(c21)C4(C)C)(C)C)(C)C
Title of publication	Bridged triphenylamine-based dendrimers: tuning enhanced two-photon absorption performance with locked molecular planarity.
Authors of publication	Fang, Zhen; Teo, Tang-Lin; Cai, Liping; Lai, Yee-Hing; Samoc, Anna; Samoc, Marek
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	1
Pages of publication	1 - 4
a	9.816 ± 0.0005 Å
b	18.6778 ± 0.0009 Å
c	21.7184 ± 0.001 Å
α	90°
β	90.068 ± 0.001°
γ	90°
Cell volume	3981.9 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1472
Residual factor for significantly intense reflections	0.1234
Weighted residual factors for significantly intense reflections	0.2945
Weighted residual factors for all reflections included in the refinement	0.3063
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1503710.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503710.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503710.cif
39009	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503710 via cif-deposit CGI script.	1503710.cif