Crystallography Open Database

Information card for entry 2006492

2006491 << 2006492 >> 2006493

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Coordinates	2006492.cif
Original IUCr paper	HTML

Structure parameters

Formula	C45 H41 N5 O7
Calculated formula	C45 H41 N5 O7
SMILES	[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.N1(C(C(c2cc(ccc12)\C=C/c1ccccc1)(C)C)=CC1=[N+](c2ccc(cc2C1(C)C)/C=C\c1ccccc1)C)C
Title of publication	1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System
Authors of publication	Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	9
Pages of publication	1363 - 1366
a	11.697 ± 0.006 Å
b	12.788 ± 0.007 Å
c	14.138 ± 0.007 Å
α	99.72 ± 0.04°
β	100.14 ± 0.04°
γ	109.04 ± 0.03°
Cell volume	1908.8 ± 1.8 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 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 for all reflections	0.158
Residual factor for significantly intense reflections	0.071
Weighted residual factors for all reflections	0.145
Weighted residual factors for significantly intense reflections	0.11
Goodness-of-fit parameter for all reflections	1.041
Goodness-of-fit parameter for significantly intense reflections	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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