X" !   % $  = &X"!%$)68)734&=

 !;<:3& 3%&*'(9#/+7
13(2020/6/2)

3'(39 2,7 *170&517=6)21.-%

-` b a e _ (4 : d 2  d P F Z 2 )Qf&#6\*GITQ`bae_Rf,QS(xyz$KU/?C=[BXOE?QK-7Q4:d2dPFZ2\.@Y)

4:5Q%(KR74:C

2
sp3 109.5<, sp2 120<, sp 180< NM

PFZ2NewmanOA?JBWQ \1ILDQ2XC'QLNY!KR V]^c HQQ Q3O8[Y(C9TWZI"
Emsley, J., The Elements. 3rd ed.
Oxford University Press:New York, 1998.
ISBN: 9780198558187

HQ=)N- 4:C–C 1.54 Å, C=C 1.33 Å
C–O 1,43 Å, C=O 1,20 Å NM
+p34ODN0>X

PFZ2L;2;2=180<−PFZ2   % 1  ?A=A315K2)+8#
Orthorhombic, &!Pbca, a = 7.360 Å, b = 9.375 Å, c = 6.703 Å&!Pbca2)+8

&!Pbca2)+8,3 243C *
7$- 1-0 59836

2/'0,3C 3:"(1BBB?A=A(Pbca)3 (<>@;) 2 .3 3 *D;);#
!;

4;

7

Osp2;;)

-?8A';)OΣd2.98A)pC"1+p-?
=7;%(C7 3O7-DKH-3-IEGMFJLN

Table>@$70B5 .
)-?&/4B6,A

IEGM<:2B!7−49*,6,A!#!# !%*7,12-dimethylbenz[a]anthracene#'()&*hexahelicene'()&'()&%$ !%#% "

%58,#!
Avan der Waals

8van der Waals 9%7:401)"+17-=6?>=  5<#!34.=26/.

.,#!8A$%OHNHOOHNHOJ. Mol. Struct. 2012, 1008, 88.

X&%*(59$ 8'@750=269;>
B
B

dicX%KJ
2!6"X%KJ(Rh<[GRhgoodness of fit)h : hklX X1afbegT4*KSB_F0: 'X2!#;
Fc: *&\N#;X2!#;

'U+8XaPSB_XT+,VY0V:RBSBFYM
=Y0.1a _U.D^KB#;TA_U7C_w(h) = 1/σ2(F0(h)) : 'dicX<[σ : dicX HO^YRV'dicIUX<[aQGN]X

S (goodness of fit: GOF)XE1V:G`Z&\N #;Y%KBU7C_σ(h) : dicX n : Xm : 0 VPNX

29>h5hWL`5X%KJ
3X$( →9>h5hWL`5X$( jC1–C2 1.513(4) ÅC2–C3 1.505(4) ÅC3–C4 1.545(4) Å95%2X.)THX/V-XEA_

1.513?0.004@1.96=1.505~1.521 Å
1.505?0.004@1.96=1.497~1.513 Å
1.545?0.004@1.96=1.537~1.553 ÅfH)x7'bORTEP,f0eL"'fnr>[Nr po7'B0aggM4Y`QoqVagdQ(Hf%gC#7'f/b eTUdo)

SPjnHY`QdVph(lnQ7'ePph)1DSPjnqmdQ
y5Lg8QAejoORTEP

WfKfsinJ-eRRo -Br7'biODf&r<u2>bY^m(efHS?I<ecfTek
Z(@.<)_bY^m(efHSxyz.a;do(;.<)bY^m(eORTEP: Oak Ridge Thermal Ellipsoid Plot;.)7'rE*Y^2 r:Qo3GF>.6
http://www.chem.gla.ac.uk/~louis/software/ortep3/

2 fTXg\f2 eS!f=9a [oWbr>Y`Qo

tusvwfORTEP($: 270 K, : 92K)

l m ng\p]p;.)7'f+.r>Y`Qo :A<9% HR  K S@XEK- T FRh^ V\Xf ] f

J:T7PSH6
6D6R KCH9BD+7D;Ri(b)9 MR)9gC5Q
8J8J950%T MR
i1&S(static disorder)(c) gCJ)0EJ!W`cZf9I;4*$I5R
i&S(dynamic disorder)(d) (b)(c)J"

^V\Xf]fJh[abd314

O;^V\Xf]f>R)
tBuhtBu–C(J,E603?S@F^V\Xf]f
CF3hF3C–C( J,E603?S@F^V\Xf]fLSI3'29^V\Xf]f/.UcYchUcYc.JS9Q9^V\Xf]fI(#F=DLSRTHFe_cWdeCHCl3HGN
C22C22'

C23'

C21C23C21'

N3N2N4N1N5O4O1O6O2

Acta Cryst. E 2011, 67, o722.

O3O5N6

8 ( = * Y9  + A'[JNd3"'D
f0 : 3"'L1H\'Δf’, Δf’’, 3"'D(\4E[bcfd)

3"'LQZH]I (h k l) − I (−h −k −l) = 0 YZd
3"'LRdY-$L.\ YZd

;[]6h)C\ 7L VWHZHY
>\ ]KZc0[@H YZVWQ`I
OOX2c&VWHd8(L(XGdYQW=*[<WHd+AY95 B:L?QU+AX
SeTe\8(+AF(h k l)YF(−h −k −l)\\!gdY%#g/adOYLXMd
I (h k l) = (1-x) |F (h k l)|2 + x |F (−h −k −l)|2xL0[ZcFS\,0 !σL[ PNe^
2<WHd+A\95 B:].QH
x\OYgFlack parameterY_",'%$:&%$:

X#02>";φ, χ, ω:3*7 )2>
 ;2q7 )2>4<46:*0

ELCPTGT": )*A2>89/-9":8 )*A @3>(A=54%$

X#:
 :;IP (imaging plate)8CCD (charged coupled device)
+MBOQHKNDFR =.!1?4PQHJ

IPQHJ

IP

S
S
U

S

CCD

S
S

S
S
S

S
S
S
S

S

MBOQHKNDFR